4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine

C32H29N3 — CID 22013282

IUPAC4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(Nc4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H29N3/c1-23-3-17-30(18-4-23)35(31-19-5-24(2)6-20-31)32-21-9-26(10-22-32)25-7-13-28(14-8-25)34-29-15-11-27(33)12-16-29/h3-22,34H,33H2,1-2H3
InChIKeyQKSUDDRHVOKYHC-UHFFFAOYSA-N
MW455.61 g/mol
LogP8.77
Rot. Bonds6

About 4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine

4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine (PubChem CID 22013282) has the molecular formula C32H29N3 and a molecular weight of 455.61 g/mol. Its IUPAC name is 4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine
PubChem CID22013282
Molecular FormulaC32H29N3
Molecular Weight455.61 g/mol
Exact Mass455.24
IUPAC Name4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(Nc4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H29N3/c1-23-3-17-30(18-4-23)35(31-19-5-24(2)6-20-31)32-21-9-26(10-22-32)25-7-13-28(14-8-25)34-29-15-11-27(33)12-16-29/h3-22,34H,33H2,1-2H3
InChIKeyQKSUDDRHVOKYHC-UHFFFAOYSA-N
XLogP8.77
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.61
LogP ≤ 58.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine 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-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
CID 22013286
4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;bis(4-methylaniline)
CID 142830870
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
4-methyl-N-phenylaniline;[4-(N-phenylanilino)phenyl]boronic acid;N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 159104775
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
ethane;4-(4-methylphenyl)aniline
CID 142892908
4-N-(4-aminophenyl)benzene-1,4-diamine
CID 10841
4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
CID 163509117
N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline
CID 11235664
4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine
CID 132519467
4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline
CID 139760283
4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine (CID 22013282) is 4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(Nc4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine?
The InChIKey is QKSUDDRHVOKYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3/c1-23-3-17-30(18-4-23)35(31-19-5-24(2)6-20-31)32-21-9-26(10-22-32)25-7-13-28(14-8-25)34-29-15-11-27(33)12-16-29/h3-22,34H,33H2,1-2H3.
What are the key properties of 4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine?
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine has a molecular weight of 455.61 g/mol, XLogP of 8.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 22013282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).