N-[4-(4-anilinophenyl)phenyl]-3-methylaniline

C25H22N2 — CID 90221896

IUPACN-[4-(4-anilinophenyl)phenyl]-3-methylaniline
SMILESCc1cccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)c1
InChIInChI=1S/C25H22N2/c1-19-6-5-9-25(18-19)27-24-16-12-21(13-17-24)20-10-14-23(15-11-20)26-22-7-3-2-4-8-22/h2-18,26-27H,1H3
InChIKeyNBDANQVIAFURRT-UHFFFAOYSA-N
MW350.47 g/mol
LogP7.15
Rot. Bonds5

About N-[4-(4-anilinophenyl)phenyl]-3-methylaniline

N-[4-(4-anilinophenyl)phenyl]-3-methylaniline (PubChem CID 90221896) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[4-(4-anilinophenyl)phenyl]-3-methylaniline.

Molecular Properties

Compound NameN-[4-(4-anilinophenyl)phenyl]-3-methylaniline
PubChem CID90221896
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC NameN-[4-(4-anilinophenyl)phenyl]-3-methylaniline
SMILESCc1cccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)c1
InChIInChI=1S/C25H22N2/c1-19-6-5-9-25(18-19)27-24-16-12-21(13-17-24)20-10-14-23(15-11-20)26-22-7-3-2-4-8-22/h2-18,26-27H,1H3
InChIKeyNBDANQVIAFURRT-UHFFFAOYSA-N
XLogP7.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(4-anilinophenyl)phenyl]-3-methylaniline 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

1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
N-[4-(4-chlorophenyl)phenyl]-3-methylaniline
CID 16755340
N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline
CID 11235664
4-N-(3-methylphenyl)benzene-1,4-diamine
CID 4764078
1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 142252530
4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline
CID 67215708
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
5-(4-anilinophenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71054362
3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline
CID 90743149
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
3-[4-[4-(3-methylanilino)-2,3-diphenylphenyl]anilino]phenol
CID 67762848

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-anilinophenyl)phenyl]-3-methylaniline?
The IUPAC name of N-[4-(4-anilinophenyl)phenyl]-3-methylaniline (CID 90221896) is N-[4-(4-anilinophenyl)phenyl]-3-methylaniline.
What is the SMILES notation for N-[4-(4-anilinophenyl)phenyl]-3-methylaniline?
The canonical SMILES for N-[4-(4-anilinophenyl)phenyl]-3-methylaniline is Cc1cccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)c1.
What is the InChIKey of N-[4-(4-anilinophenyl)phenyl]-3-methylaniline?
The InChIKey is NBDANQVIAFURRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-19-6-5-9-25(18-19)27-24-16-12-21(13-17-24)20-10-14-23(15-11-20)26-22-7-3-2-4-8-22/h2-18,26-27H,1H3.
What are the key properties of N-[4-(4-anilinophenyl)phenyl]-3-methylaniline?
N-[4-(4-anilinophenyl)phenyl]-3-methylaniline has a molecular weight of 350.47 g/mol, XLogP of 7.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-anilinophenyl)phenyl]-3-methylaniline is sourced from PubChem (CID 90221896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).