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Hoechst 33258 analog 6

CAT: 0931-T19007-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T19007-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
129244-66-2
Target
Others
Related Pathways
Others
Bioactivity
Hoechst 33258 analog 6 is an analog of Hoechst stains which are part of a family of blue fluorescent dyes used to stain DNA.
Smiles
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Molecular Formula
C33H40N6O
Molecular Weight
536.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,6-ditert-butyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
CAS Number129244-66-2
PubChem CID136218783
IUPAC Name2,6-ditert-butyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
Molecular FormulaC33H40N6O
Molecular Weight536.7
XLogP7.3
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity838
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C
InChI
InChI=1S/C33H40N6O/c1-32(2,3)23-16-21(17-24(29(23)40)33(4,5)6)31-35-25-10-8-20(18-27(25)36-31)30-34-26-11-9-22(19-28(26)37-30)39-14-12-38(7)13-15-39/h8-11,16-19,40H,12-15H2,1-7H3,(H,34,37)(H,35,36)
InChIKey
LXRWWFIBSFWADZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-ditert-butyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
CAS: 129244-66-2
CID: 136218783
Formula: C33H40N6O
MW: 536.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.7
XLogP37.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass536.32635992
Monoisotopic Mass536.32635992
Topological Polar Surface Area84.1 Ų
Heavy Atom Count40
Formal Charge0
Complexity838
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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