3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline

C26H23N — CID 21349180

IUPAC3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C26H23N/c1-20-11-13-22(14-12-20)23-15-17-25(18-16-23)27(24-8-4-3-5-9-24)26-10-6-7-21(2)19-26/h3-19H,1-2H3
InChIKeyWAFQCKWAVUHEBX-UHFFFAOYSA-N
MW349.48 g/mol
LogP7.44
Rot. Bonds4

About 3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline

3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline (PubChem CID 21349180) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
PubChem CID21349180
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C26H23N/c1-20-11-13-22(14-12-20)23-15-17-25(18-16-23)27(24-8-4-3-5-9-24)26-10-6-7-21(2)19-26/h3-19H,1-2H3
InChIKeyWAFQCKWAVUHEBX-UHFFFAOYSA-N
XLogP7.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
4-methyl-N,N-diphenylaniline;3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)aniline;N-methyl-N-phenylaniline;4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 160844016
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline?
The IUPAC name of 3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline (CID 21349180) is 3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline.
What is the SMILES notation for 3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline?
The canonical SMILES for 3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline is Cc1ccc(-c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)cc1.
What is the InChIKey of 3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline?
The InChIKey is WAFQCKWAVUHEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-20-11-13-22(14-12-20)23-15-17-25(18-16-23)27(24-8-4-3-5-9-24)26-10-6-7-21(2)19-26/h3-19H,1-2H3.
What are the key properties of 3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline?
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline has a molecular weight of 349.48 g/mol, XLogP of 7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline is sourced from PubChem (CID 21349180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).