4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline

C48H34Cl2N2 — CID 121295829

IUPAC4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline
SMILESClc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(-c2cc(Cl)cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)c1
InChIInChI=1S/C48H34Cl2N2/c49-41-31-37(35-21-25-47(26-22-35)51(43-13-5-1-6-14-43)44-15-7-2-8-16-44)29-39(33-41)40-30-38(32-42(50)34-40)36-23-27-48(28-24-36)52(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h1-34H
InChIKeyBYTOLSRJIDACML-UHFFFAOYSA-N
MW709.72 g/mol
LogP14.93
Rot. Bonds9

About 4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline

4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline (PubChem CID 121295829) has the molecular formula C48H34Cl2N2 and a molecular weight of 709.72 g/mol. Its IUPAC name is 4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline
PubChem CID121295829
Molecular FormulaC48H34Cl2N2
Molecular Weight709.72 g/mol
Exact Mass708.21
IUPAC Name4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline
SMILESClc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(-c2cc(Cl)cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)c1
InChIInChI=1S/C48H34Cl2N2/c49-41-31-37(35-21-25-47(26-22-35)51(43-13-5-1-6-14-43)44-15-7-2-8-16-44)29-39(33-41)40-30-38(32-42(50)34-40)36-23-27-48(28-24-36)52(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h1-34H
InChIKeyBYTOLSRJIDACML-UHFFFAOYSA-N
XLogP14.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.72
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline 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

3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 67786435
N,N-diphenyl-4-[3-phenyl-5-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 121368277
4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59025088
N-[4-[4-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]phenyl]phenyl]-N,3,5-triphenylaniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N,3,5-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159721159
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline (CID 121295829) is 4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline is Clc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(-c2cc(Cl)cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)c1.
What is the InChIKey of 4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The InChIKey is BYTOLSRJIDACML-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34Cl2N2/c49-41-31-37(35-21-25-47(26-22-35)51(43-13-5-1-6-14-43)44-15-7-2-8-16-44)29-39(33-41)40-30-38(32-42(50)34-40)36-23-27-48(28-24-36)52(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h1-34H.
What are the key properties of 4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline has a molecular weight of 709.72 g/mol, XLogP of 14.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 121295829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).