9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen

C42H29N3 — CID 160506495

IUPAC9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
SMILES[H][H].c1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C42H27N3.H2/c1-7-19-37-31(13-1)32-14-2-8-20-38(32)43(37)28-25-29(44-39-21-9-3-15-33(39)34-16-4-10-22-40(34)44)27-30(26-28)45-41-23-11-5-17-35(41)36-18-6-12-24-42(36)45;/h1-27H;1H
InChIKeyQSMCMTWJYFIONV-UHFFFAOYSA-N
MW575.72 g/mol
LogP11.22
Rot. Bonds3

About 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen

9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen (PubChem CID 160506495) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen.

Molecular Properties

Compound Name9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
PubChem CID160506495
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC Name9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
SMILES[H][H].c1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C42H27N3.H2/c1-7-19-37-31(13-1)32-14-2-8-20-38(32)43(37)28-25-29(44-39-21-9-3-15-33(39)34-16-4-10-22-40(34)44)27-30(26-28)45-41-23-11-5-17-35(41)36-18-6-12-24-42(36)45;/h1-27H;1H
InChIKeyQSMCMTWJYFIONV-UHFFFAOYSA-N
XLogP11.22
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-(3-carbazol-9-yl-5-fluorophenyl)carbazole
CID 59399166
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen
CID 143348684
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane
CID 158760792
[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 53427855
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
3,5-di(carbazol-9-yl)-N-chloroaniline
CID 139393614
9-(3,5-diphenylphenyl)carbazole
CID 86068368
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen?
The IUPAC name of 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen (CID 160506495) is 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen.
What is the SMILES notation for 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen?
The canonical SMILES for 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen is [H][H].c1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen?
The InChIKey is QSMCMTWJYFIONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3.H2/c1-7-19-37-31(13-1)32-14-2-8-20-38(32)43(37)28-25-29(44-39-21-9-3-15-33(39)34-16-4-10-22-40(34)44)27-30(26-28)45-41-23-11-5-17-35(41)36-18-6-12-24-42(36)45;/h1-27H;1H.
What are the key properties of 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen?
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen has a molecular weight of 575.72 g/mol, XLogP of 11.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen is sourced from PubChem (CID 160506495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).