4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline

C54H42N2 — CID 167211262

IUPAC4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline
SMILESC1=CC(c2ccc(N(c3ccc(-c4ccccc4)cc3)C3C=CC(c4ccc(-c5ccccc5)cc4)=CC3)cc2)CC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C54H42N2/c1-3-12-39(13-4-1)41-22-24-42(25-23-41)44-28-34-48(35-29-44)55(47-32-26-43(27-33-47)40-14-5-2-6-15-40)49-36-30-45(31-37-49)46-16-11-17-50(38-46)56-53-20-9-7-18-51(53)52-19-8-10-21-54(52)56/h1-34,36-37,46,48H,35,38H2
InChIKeyXYHKVWHOSNCJQK-UHFFFAOYSA-N
MW718.94 g/mol
LogP14.26
Rot. Bonds8

About 4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline

4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline (PubChem CID 167211262) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is 4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline.

Molecular Properties

Compound Name4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline
PubChem CID167211262
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC Name4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline
SMILESC1=CC(c2ccc(N(c3ccc(-c4ccccc4)cc3)C3C=CC(c4ccc(-c5ccccc5)cc4)=CC3)cc2)CC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C54H42N2/c1-3-12-39(13-4-1)41-22-24-42(25-23-41)44-28-34-48(35-29-44)55(47-32-26-43(27-33-47)40-14-5-2-6-15-40)49-36-30-45(31-37-49)46-16-11-17-50(38-46)56-53-20-9-7-18-51(53)52-19-8-10-21-54(52)56/h1-34,36-37,46,48H,35,38H2
InChIKeyXYHKVWHOSNCJQK-UHFFFAOYSA-N
XLogP14.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline 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-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
11-dibenzofuran-3-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]carbazol-2-amine
CID 146186880
N-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-4-yl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 167262278
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine
CID 90207063
4-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 170131651
N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine
CID 167157236
9-phenyl-3-[4-[9-(4-phenylcyclohexa-2,4-dien-1-yl)-2,3,4b,8a-tetrahydrocarbazol-3-yl]phenyl]carbazole
CID 126590305
N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline
CID 163594248
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)naphthalen-1-amine
CID 135299557
N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline
CID 139339392
1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one
CID 71080500
5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 139322280

Frequently Asked Questions

What is the IUPAC name of 4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline?
The IUPAC name of 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) is 4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline.
What is the SMILES notation for 4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline?
The canonical SMILES for 4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline is C1=CC(c2ccc(N(c3ccc(-c4ccccc4)cc3)C3C=CC(c4ccc(-c5ccccc5)cc4)=CC3)cc2)CC(n2c3ccccc3c3ccccc32)=C1.
What is the InChIKey of 4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline?
The InChIKey is XYHKVWHOSNCJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-3-12-39(13-4-1)41-22-24-42(25-23-41)44-28-34-48(35-29-44)55(47-32-26-43(27-33-47)40-14-5-2-6-15-40)49-36-30-45(31-37-49)46-16-11-17-50(38-46)56-53-20-9-7-18-51(53)52-19-8-10-21-54(52)56/h1-34,36-37,46,48H,35,38H2.
What are the key properties of 4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline?
4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline has a molecular weight of 718.94 g/mol, XLogP of 14.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline is sourced from PubChem (CID 167211262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).