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H7

CAT: 0931-T82246-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82246-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2803681-14-1
Target
Others
Related Pathways
Others
Bioactivity
H7 is a second near-infrared (NIR-II) fluorophore [1].
Smiles
O=C(OCC[Si](C)(C)C)CCC1=CC=C(C=C1)N(C=2C=CC=CC2)C3=CC=C(C=C3)C=4C=5N=S=NC5C(=C6N=C7C(=NC64)C8=CC=CN=C8C9=NC=CC=C97)C=%10C=CC(=CC%10)N(C=%11C=CC=CC%11)C%12=CC=C(C=C%12)CCC(=O)OCC[Si](C)(C)C
Molecular Formula
C70H66N8O4SSi2
Molecular Weight
1171.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-trimethylsilylethyl 3-[4-(N-[4-[23-[4-(N-[4-[3-oxo-3-(2-trimethylsilylethoxy)propyl]phenyl]anilino)phenyl]-20lambda4-thia-6,9,15,19,21,25-hexazahexacyclo[12.11.0.02,7.08,13.016,24.018,22]pentacosa-1(25),2(7),3,5,8(13),9,11,14,16,18(22),19,20,23-tridecaen-17-yl]phenyl]anilino)phenyl]propanoate
CAS Number2803681-14-1
PubChem CID163196261
IUPAC Name2-trimethylsilylethyl 3-[4-(N-[4-[23-[4-(N-[4-[3-oxo-3-(2-trimethylsilylethoxy)propyl]phenyl]anilino)phenyl]-20lambda4-thia-6,9,15,19,21,25-hexazahexacyclo[12.11.0.02,7.08,13.016,24.018,22]pentacosa-1(25),2(7),3,5,8(13),9,11,14,16,18(22),19,20,23-tridecaen-17-yl]phenyl]anilino)phenyl]propanoate
Molecular FormulaC70H66N8O4SSi2
Molecular Weight1171.6
Topological Polar Surface Area136
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count22
Heavy Atom Count85
Formal Charge0
Complexity2050
SMILES
C[Si](C)(C)CCOC(=O)CCC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=C5C(=C(C6=C4N=S=N6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=C(C=C9)CCC(=O)OCC[Si](C)(C)C)N=C1C2=C(C3=C(C1=N5)C=CC=N3)N=CC=C2
InChI
InChI=1S/C70H66N8O4SSi2/c1-84(2,3)45-43-81-59(79)39-25-47-21-31-53(32-22-47)77(51-15-9-7-10-16-51)55-35-27-49(28-36-55)61-67-68(74-66-58-20-14-42-72-64(58)63-57(65(66)73-67)19-13-41-71-63)62(70-69(61)75-83-76-70)50-29-37-56(38-30-50)78(52-17-11-8-12-18-52)54-33-23-48(24-34-54)26-40-60(80)82-44-46-85(4,5)6/h7-24,27-38,41-42H,25-26,39-40,43-46H2,1-6H3
InChIKey
CLRSAMOFSQVSNC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-trimethylsilylethyl 3-[4-(N-[4-[23-[4-(N-[4-[3-oxo-3-(2-trimethylsilylethoxy)propyl]phenyl]anilino)phenyl]-20lambda4-thia-6,9,15,19,21,25-hexazahexacyclo[12.11.0.02,7.08,13.016,24.018,22]pentacosa-1(25),2(7),3,5,8(13),9,11,14,16,18(22),19,20,23-tridecaen-17-yl]phenyl]anilino)phenyl]propanoate
CAS: 2803681-14-1
CID: 163196261
Formula: C70H66N8O4SSi2
MW: 1171.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1171.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count22
Exact Mass1170.44662686
Monoisotopic Mass1170.44662686
Topological Polar Surface Area136 Ų
Heavy Atom Count85
Formal Charge0
Complexity2050
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

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