4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline

C31H26N2 — CID 150794523

IUPAC4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc(Nc3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C31H26N2/c1-33(28-15-9-4-10-16-28)29-20-17-25(18-21-29)30-22-19-27(32-26-13-7-3-8-14-26)23-31(30)24-11-5-2-6-12-24/h2-23,32H,1H3
InChIKeyKEOBNEOAGHTHCM-UHFFFAOYSA-N
MW426.56 g/mol
LogP8.53
Rot. Bonds6

About 4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline

4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline (PubChem CID 150794523) has the molecular formula C31H26N2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline.

Molecular Properties

Compound Name4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline
PubChem CID150794523
Molecular FormulaC31H26N2
Molecular Weight426.56 g/mol
Exact Mass426.21
IUPAC Name4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc(Nc3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C31H26N2/c1-33(28-15-9-4-10-16-28)29-20-17-25(18-21-29)30-22-19-27(32-26-13-7-3-8-14-26)23-31(30)24-11-5-2-6-12-24/h2-23,32H,1H3
InChIKeyKEOBNEOAGHTHCM-UHFFFAOYSA-N
XLogP8.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 58.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-anilinophenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 69462597
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
4-(4-anilino-N-methylanilino)phenol
CID 143031995
4-phenanthren-3-yl-N,3-diphenylaniline
CID 177300604
N-methyl-N-phenyl-3-(3-phenylphenyl)aniline;N-methyl-N-phenyl-3-(4-phenylphenyl)aniline;N-methyl-N-phenyl-4-(2-phenylphenyl)aniline;N-methyl-N-phenyl-4-(3-phenylphenyl)aniline
CID 158130832
1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine
CID 162023240
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
4-phenanthren-9-yl-N,3-diphenylaniline
CID 177300609
4-(4-chlorophenyl)-3-methyl-N-phenylaniline
CID 156563993
N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline
CID 166769723
1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 57314003
4-(4-anilinophenyl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 59181360

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline?
The IUPAC name of 4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline (CID 150794523) is 4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline.
What is the SMILES notation for 4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline?
The canonical SMILES for 4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline is CN(c1ccccc1)c1ccc(-c2ccc(Nc3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline?
The InChIKey is KEOBNEOAGHTHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2/c1-33(28-15-9-4-10-16-28)29-20-17-25(18-21-29)30-22-19-27(32-26-13-7-3-8-14-26)23-31(30)24-11-5-2-6-12-24/h2-23,32H,1H3.
What are the key properties of 4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline?
4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline has a molecular weight of 426.56 g/mol, XLogP of 8.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-methylanilino)phenyl]-N,3-diphenylaniline is sourced from PubChem (CID 150794523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).