2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol

C39H27N3O — CID 136791403

IUPAC2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C39H27N3O/c43-36-22-12-9-19-33(36)39-40-37(27-13-3-1-4-14-27)38(28-15-5-2-6-16-28)42(39)30-25-23-29(24-26-30)41-34-20-10-7-17-31(34)32-18-8-11-21-35(32)41/h1-26,43H
InChIKeyAOBMTSVGKZCUEU-UHFFFAOYSA-N
MW553.67 g/mol
LogP9.68
Rot. Bonds5

About 2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol

2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol (PubChem CID 136791403) has the molecular formula C39H27N3O and a molecular weight of 553.67 g/mol. Its IUPAC name is 2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol
PubChem CID136791403
Molecular FormulaC39H27N3O
Molecular Weight553.67 g/mol
Exact Mass553.22
IUPAC Name2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C39H27N3O/c43-36-22-12-9-19-33(36)39-40-37(27-13-3-1-4-14-27)38(28-15-5-2-6-16-28)42(39)30-25-23-29(24-26-30)41-34-20-10-7-17-31(34)32-18-8-11-21-35(32)41/h1-26,43H
InChIKeyAOBMTSVGKZCUEU-UHFFFAOYSA-N
XLogP9.68
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.67
LogP ≤ 59.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol
CID 44405888
2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
CID 682797
(6E)-6-(4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one
CID 660174
4-[3-(1H-benzimidazol-2-yl)-1H-indol-2-yl]phenol
CID 136068402
2-[3-[4-(1-Aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]phenol
CID 136226769
2-[[4-[5-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]iminomethyl]phenol
CID 135971383
2-[[2-[1-[4-(2-Methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol
CID 70681750
2-(3-Methylbenzo[e]benzimidazol-2-yl)phenol
CID 136191449
4-[2-(9-Ethylcarbazol-3-yl)-4,5-bis[4-(4-methylpiperazin-1-yl)phenyl]imidazol-1-yl]phenol
CID 168296536
2-[4,5-Bis(4-fluorophenyl)-1-phenylimidazol-2-yl]-4-fluorophenol
CID 168339113
4-(1,4,5-Triphenyl-1h-imidazol-2-yl)phenol
CID 135461036
6-(1-Phenyl-1,3-dihydro-2H-benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one
CID 135711112

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol?
The IUPAC name of 2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol (CID 136791403) is 2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol.
What is the SMILES notation for 2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol?
The canonical SMILES for 2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol is Oc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol?
The InChIKey is AOBMTSVGKZCUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3O/c43-36-22-12-9-19-33(36)39-40-37(27-13-3-1-4-14-27)38(28-15-5-2-6-16-28)42(39)30-25-23-29(24-26-30)41-34-20-10-7-17-31(34)32-18-8-11-21-35(32)41/h1-26,43H.
What are the key properties of 2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol?
2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol has a molecular weight of 553.67 g/mol, XLogP of 9.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-carbazol-9-ylphenyl)-4,5-diphenylimidazol-2-yl]phenol is sourced from PubChem (CID 136791403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).