1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one

C43H35N3O — CID 71080500

IUPAC1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one
SMILESO=c1n(-c2ccccc2)c2ccccc2n1-c1ccc(N(c2ccc(-c3ccccc3)cc2)C2C=CC(C3C=CC=CC3)=CC2)cc1
InChIInChI=1S/C43H35N3O/c47-43-45(36-16-8-3-9-17-36)41-18-10-11-19-42(41)46(43)40-30-28-39(29-31-40)44(37-24-20-34(21-25-37)32-12-4-1-5-13-32)38-26-22-35(23-27-38)33-14-6-2-7-15-33/h1-14,16-26,28-31,33,38H,15,27H2
InChIKeyYKPUOLMJUDQWCF-UHFFFAOYSA-N
MW609.77 g/mol
LogP9.97
Rot. Bonds7

About 1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one

1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one (PubChem CID 71080500) has the molecular formula C43H35N3O and a molecular weight of 609.77 g/mol. Its IUPAC name is 1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one
PubChem CID71080500
Molecular FormulaC43H35N3O
Molecular Weight609.77 g/mol
Exact Mass609.28
IUPAC Name1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one
SMILESO=c1n(-c2ccccc2)c2ccccc2n1-c1ccc(N(c2ccc(-c3ccccc3)cc2)C2C=CC(C3C=CC=CC3)=CC2)cc1
InChIInChI=1S/C43H35N3O/c47-43-45(36-16-8-3-9-17-36)41-18-10-11-19-42(41)46(43)40-30-28-39(29-31-40)44(37-24-20-34(21-25-37)32-12-4-1-5-13-32)38-26-22-35(23-27-38)33-14-6-2-7-15-33/h1-14,16-26,28-31,33,38H,15,27H2
InChIKeyYKPUOLMJUDQWCF-UHFFFAOYSA-N
XLogP9.97
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-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

N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline
CID 145377407
N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-7-(3-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 138714538
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,17,20(24),21-undecaen-5-amine
CID 118027605
4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline
CID 167211262
1-N-cyclohexa-2,4-dien-1-yl-4-N,4-N-diphenyl-1-N-[4-[4-(N-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 143746563
N-cyclohexa-2,4-dien-1-yl-4-[27-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-18-[4-(N-phenylanilino)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-9-yl]-N-phenylaniline
CID 131994501
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline
CID 155307171
N-(4-carbazol-9-ylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-yl-10-phenylanthracen-2-yl)phenyl]-4-phenylaniline
CID 88572392
9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine
CID 152968565
N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
CID 137428152
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078

Frequently Asked Questions

What is the IUPAC name of 1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one?
The IUPAC name of 1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one (CID 71080500) is 1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one.
What is the SMILES notation for 1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one?
The canonical SMILES for 1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one is O=c1n(-c2ccccc2)c2ccccc2n1-c1ccc(N(c2ccc(-c3ccccc3)cc2)C2C=CC(C3C=CC=CC3)=CC2)cc1.
What is the InChIKey of 1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one?
The InChIKey is YKPUOLMJUDQWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N3O/c47-43-45(36-16-8-3-9-17-36)41-18-10-11-19-42(41)46(43)40-30-28-39(29-31-40)44(37-24-20-34(21-25-37)32-12-4-1-5-13-32)38-26-22-35(23-27-38)33-14-6-2-7-15-33/h1-14,16-26,28-31,33,38H,15,27H2.
What are the key properties of 1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one?
1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one has a molecular weight of 609.77 g/mol, XLogP of 9.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one is sourced from PubChem (CID 71080500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).