N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline

C38H34N2 — CID 157333767

IUPACN-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21N.C13H13N/c1-26(24-16-12-22(13-17-24)20-8-4-2-5-9-20)25-18-14-23(15-19-25)21-10-6-3-7-11-21;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-19H,1H3;2-11H,1H3
InChIKeyBFPCBEKYQZIUQD-UHFFFAOYSA-N
MW518.70 g/mol
LogP10.24
Rot. Bonds6

About N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline

N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 157333767) has the molecular formula C38H34N2 and a molecular weight of 518.70 g/mol. Its IUPAC name is N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID157333767
Molecular FormulaC38H34N2
Molecular Weight518.70 g/mol
Exact Mass518.27
IUPAC NameN-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21N.C13H13N/c1-26(24-16-12-22(13-17-24)20-8-4-2-5-9-20)25-18-14-23(15-19-25)21-10-6-3-7-11-21;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-19H,1H3;2-11H,1H3
InChIKeyBFPCBEKYQZIUQD-UHFFFAOYSA-N
XLogP10.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
N-methyl-N-phenylaniline;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene
CID 157193805
4-[4-(N-methylanilino)phenyl]aniline
CID 21015508
N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline
CID 58151391
N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline
CID 70891344
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline
CID 148708974
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
ethene;N-methyl-N-phenylaniline
CID 144541479
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-2-amine;N-methyl-4-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 158523438

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline (CID 157333767) is N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline is CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.CN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is BFPCBEKYQZIUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N.C13H13N/c1-26(24-16-12-22(13-17-24)20-8-4-2-5-9-20)25-18-14-23(15-19-25)21-10-6-3-7-11-21;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-19H,1H3;2-11H,1H3.
What are the key properties of N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline?
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 518.70 g/mol, XLogP of 10.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 157333767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).