1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one

C67H46N6O — CID 89129785

IUPAC1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one
SMILESO=c1n(-c2cc(N3c4ccccc4C4C=CC=CC43)cc(-n3c4c(c5ccccc53)C=CCC4)c2)c2ccccc2n1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C67H46N6O/c74-67-72(47-39-43(68-57-27-9-1-19-49(57)50-20-2-10-28-58(50)68)37-44(40-47)69-59-29-11-3-21-51(59)52-22-4-12-30-60(52)69)65-35-17-18-36-66(65)73(67)48-41-45(70-61-31-13-5-23-53(61)54-24-6-14-32-62(54)70)38-46(42-48)71-63-33-15-7-25-55(63)56-26-8-16-34-64(56)71/h1-15,17-33,35-42,53,61H,16,34H2
InChIKeyVHNYWKLPRLXBFC-UHFFFAOYSA-N
MW951.15 g/mol
LogP15.61
Rot. Bonds6

About 1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one

1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one (PubChem CID 89129785) has the molecular formula C67H46N6O and a molecular weight of 951.15 g/mol. Its IUPAC name is 1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one
PubChem CID89129785
Molecular FormulaC67H46N6O
Molecular Weight951.15 g/mol
Exact Mass950.37
IUPAC Name1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one
SMILESO=c1n(-c2cc(N3c4ccccc4C4C=CC=CC43)cc(-n3c4c(c5ccccc53)C=CCC4)c2)c2ccccc2n1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C67H46N6O/c74-67-72(47-39-43(68-57-27-9-1-19-49(57)50-20-2-10-28-58(50)68)37-44(40-47)69-59-29-11-3-21-51(59)52-22-4-12-30-60(52)69)65-35-17-18-36-66(65)73(67)48-41-45(70-61-31-13-5-23-53(61)54-24-6-14-32-62(54)70)38-46(42-48)71-63-33-15-7-25-55(63)56-26-8-16-34-64(56)71/h1-15,17-33,35-42,53,61H,16,34H2
InChIKeyVHNYWKLPRLXBFC-UHFFFAOYSA-N
XLogP15.61
TPSA44.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.15
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[3-(4a,9a-dihydrocarbazol-9-yl)-7-(1,2-dihydrocarbazol-9-yl)benzo[a]anthracen-12-yl]carbazole
CID 89220145
9-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 70916078
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
4-(4a,9a-dihydrocarbazol-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]aniline
CID 146413450
6-(4a,9a-dihydrocarbazol-9-yl)-9-[2-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-3,4-didehydro-4a,9a-dihydrocarbazole
CID 163532872
3-(4a,9a-dihydrocarbazol-9-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 165401491
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
[3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol
CID 70991147
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 58037872
9-[4-[[3-[[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]methyl]-5-[(4-carbazol-9-ylphenyl)methyl]phenyl]methyl]phenyl]carbazole
CID 70971569
9-[4-[[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-phenylphosphoryl]phenyl]carbazole
CID 139471437

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one?
The IUPAC name of 1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one (CID 89129785) is 1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one.
What is the SMILES notation for 1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one?
The canonical SMILES for 1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one is O=c1n(-c2cc(N3c4ccccc4C4C=CC=CC43)cc(-n3c4c(c5ccccc53)C=CCC4)c2)c2ccccc2n1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one?
The InChIKey is VHNYWKLPRLXBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N6O/c74-67-72(47-39-43(68-57-27-9-1-19-49(57)50-20-2-10-28-58(50)68)37-44(40-47)69-59-29-11-3-21-51(59)52-22-4-12-30-60(52)69)65-35-17-18-36-66(65)73(67)48-41-45(70-61-31-13-5-23-53(61)54-24-6-14-32-62(54)70)38-46(42-48)71-63-33-15-7-25-55(63)56-26-8-16-34-64(56)71/h1-15,17-33,35-42,53,61H,16,34H2.
What are the key properties of 1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one?
1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one has a molecular weight of 951.15 g/mol, XLogP of 15.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one is sourced from PubChem (CID 89129785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).