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BrIR2

CAT: 0931-T85916-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T85916-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2089258-78-4
Target
Others
Related Pathways
Others
Bioactivity
BrIR2 is a multifunctional dye used in biological experiments to observe and analyze cell structures, track biomolecules, evaluate cell functions, distinguish cell types, detect biomolecules, study tissue pathology, and monitor microorganisms. Its applications range from fundamental scientific research to clinical diagnostics. Additionally, dyes are widely utilized in traditional fields like textile dyeing, and emerging areas such as functional textile processing, food pigments, and dye-sensitized solar cells.
Smiles
C(CCCCCBr)C1(CCCCCCBr)C=2C(C=3C1=CC=CC3)=CC=C(C2)C4=C5C(=C(S4)C=6C=7C(C(=C8C6N=S=N8)C9=C%10C(=C(S9)C=%11C=C%12C(CCCCCCBr)(CCCCCCBr)C=%13C(C%12=CC%11)=CC=CC%13)OCCO%10)=NSN7)OCCO5
Molecular Formula
C68H70Br4N4O4S4
Molecular Weight
1455.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,8-Bis[7-[9,9-bis(6-bromohexyl)fluoren-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-5lambda4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
CAS Number2089258-78-4
PubChem CID132111514
IUPAC Name2,8-bis[7-[9,9-bis(6-bromohexyl)fluoren-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-5lambda4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
Molecular FormulaC68H70Br4N4O4S4
Molecular Weight1455.2
XLogP23.5
Topological Polar Surface Area173
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count28
Heavy Atom Count84
Formal Charge0
Complexity1960
SMILES
C1COC2=C(SC(=C2O1)C3=CC4=C(C=C3)C5=CC=CC=C5C4(CCCCCCBr)CCCCCCBr)C6=C7C(=C(C8=NSN=C68)C9=C1C(=C(S9)C2=CC3=C(C=C2)C2=CC=CC=C2C3(CCCCCCBr)CCCCCCBr)OCCO1)N=S=N7
InChI
InChI=1S/C68H70Br4N4O4S4/c69-33-17-5-1-13-29-67(30-14-2-6-18-34-70)49-23-11-9-21-45(49)47-27-25-43(41-51(47)67)63-59-61(79-39-37-77-59)65(81-63)53-55-57(75-83-73-55)54(58-56(53)74-84-76-58)66-62-60(78-38-40-80-62)64(82-66)44-26-28-48-46-22-10-12-24-50(46)68(52(48)42-44,31-15-3-7-19-35-71)32-16-4-8-20-36-72/h9-12,21-28,41-42H,1-8,13-20,29-40H2
InChIKey
XMPUHNVRGCGMRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,8-Bis[7-[9,9-bis(6-bromohexyl)fluoren-2-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-5lambda4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
CAS: 2089258-78-4
CID: 132111514
Formula: C68H70Br4N4O4S4
MW: 1455.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1455.2
XLogP323.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count28
Exact Mass1454.09724
Monoisotopic Mass1450.10134
Topological Polar Surface Area173 Ų
Heavy Atom Count84
Formal Charge0
Complexity1960
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-D1382BrIR2

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