N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline

C57H46ClN3 — CID 153085376

IUPACN-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(Cl)cc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H46ClN3/c1-41-9-25-50(26-10-41)59(49-7-5-4-6-8-49)53-31-15-44(16-32-53)46-19-35-55(36-20-46)61(57-39-23-48(58)24-40-57)56-37-21-47(22-38-56)45-17-33-54(34-18-45)60(51-27-11-42(2)12-28-51)52-29-13-43(3)14-30-52/h4-40H,1-3H3
InChIKeyVOCJTUZTLVQVHL-UHFFFAOYSA-N
MW808.47 g/mol
LogP17.01
Rot. Bonds11

About N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline

N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline (PubChem CID 153085376) has the molecular formula C57H46ClN3 and a molecular weight of 808.47 g/mol. Its IUPAC name is N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline
PubChem CID153085376
Molecular FormulaC57H46ClN3
Molecular Weight808.47 g/mol
Exact Mass807.34
IUPAC NameN-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(Cl)cc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H46ClN3/c1-41-9-25-50(26-10-41)59(49-7-5-4-6-8-49)53-31-15-44(16-32-53)46-19-35-55(36-20-46)61(57-39-23-48(58)24-40-57)56-37-21-47(22-38-56)45-17-33-54(34-18-45)60(51-27-11-42(2)12-28-51)52-29-13-43(3)14-30-52/h4-40H,1-3H3
InChIKeyVOCJTUZTLVQVHL-UHFFFAOYSA-N
XLogP17.01
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.47
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline 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

4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59025088
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
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-bis[4-(4-chlorophenyl)phenyl]-3-methylaniline
CID 14669996
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
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
N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline
CID 174505698

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline?
The IUPAC name of N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline (CID 153085376) is N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline.
What is the SMILES notation for N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline?
The canonical SMILES for N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline is Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(Cl)cc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline?
The InChIKey is VOCJTUZTLVQVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H46ClN3/c1-41-9-25-50(26-10-41)59(49-7-5-4-6-8-49)53-31-15-44(16-32-53)46-19-35-55(36-20-46)61(57-39-23-48(58)24-40-57)56-37-21-47(22-38-56)45-17-33-54(34-18-45)60(51-27-11-42(2)12-28-51)52-29-13-43(3)14-30-52/h4-40H,1-3H3.
What are the key properties of N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline?
N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline has a molecular weight of 808.47 g/mol, XLogP of 17.01, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline is sourced from PubChem (CID 153085376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).