4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline

C54H40N2 — CID 118907736

IUPAC4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc(Nc5cc(-c6ccccc6)cc(-c6ccccc6)c5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H40N2/c1-6-16-39(17-7-1)42-26-30-49(31-27-42)55-53-32-28-45(37-51(53)43-22-12-4-13-23-43)46-29-33-54(52(38-46)44-24-14-5-15-25-44)56-50-35-47(40-18-8-2-9-19-40)34-48(36-50)41-20-10-3-11-21-41/h1-38,55-56H
InChIKeyVSCNAQUHSWUFGI-UHFFFAOYSA-N
MW716.93 g/mol
LogP15.18
Rot. Bonds10

About 4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline

4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 118907736) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is 4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline
PubChem CID118907736
Molecular FormulaC54H40N2
Molecular Weight716.93 g/mol
Exact Mass716.32
IUPAC Name4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc(Nc5cc(-c6ccccc6)cc(-c6ccccc6)c5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H40N2/c1-6-16-39(17-7-1)42-26-30-49(31-27-42)55-53-32-28-45(37-51(53)43-22-12-4-13-23-43)46-29-33-54(52(38-46)44-24-14-5-15-25-44)56-50-35-47(40-18-8-2-9-19-40)34-48(36-50)41-20-10-3-11-21-41/h1-38,55-56H
InChIKeyVSCNAQUHSWUFGI-UHFFFAOYSA-N
XLogP15.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.93
LogP ≤ 515.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)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,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline
CID 155123182
2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 90153748
4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118675145
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
CID 118682618
N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 163918921
4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline
CID 67215708
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine
CID 169007083
ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 145442322
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline (CID 118907736) is 4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(Nc3ccc(-c4ccc(Nc5cc(-c6ccccc6)cc(-c6ccccc6)c5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is VSCNAQUHSWUFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-6-16-39(17-7-1)42-26-30-49(31-27-42)55-53-32-28-45(37-51(53)43-22-12-4-13-23-43)46-29-33-54(52(38-46)44-24-14-5-15-25-44)56-50-35-47(40-18-8-2-9-19-40)34-48(36-50)41-20-10-3-11-21-41/h1-38,55-56H.
What are the key properties of 4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 716.93 g/mol, XLogP of 15.18, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118907736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).