1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine

C31H26N2 — CID 58903662

IUPAC1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine
SMILESCN(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C31H26N2/c1-32(31-23-12-11-22-30(31)25-14-5-2-6-15-25)28-20-13-21-29(24-28)33(26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-24H,1H3
InChIKeyPMWLUBGLGCBNGG-UHFFFAOYSA-N
MW426.56 g/mol
LogP8.59
Rot. Bonds6

About 1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine

1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine (PubChem CID 58903662) has the molecular formula C31H26N2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine
PubChem CID58903662
Molecular FormulaC31H26N2
Molecular Weight426.56 g/mol
Exact Mass426.21
IUPAC Name1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine
SMILESCN(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C31H26N2/c1-32(31-23-12-11-22-30(31)25-14-5-2-6-15-25)28-20-13-21-29(24-28)33(26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-24H,1H3
InChIKeyPMWLUBGLGCBNGG-UHFFFAOYSA-N
XLogP8.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
N-methyl-3,4-diphenyl-N-(2-phenylphenyl)aniline
CID 163746160
N-methyl-N-(3-naphthalen-2-ylphenyl)-2-phenylaniline
CID 163929020
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
N-methyl-N,2-bis(4-phenylphenyl)aniline;propane
CID 145370298
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
N-methyl-5-phenyl-N-(3-phenylphenyl)naphthalen-1-amine
CID 163451473
1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 160529888
1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine;1-N-methyl-1-N-naphthalen-2-yl-2-N,2-N-diphenylbenzene-1,2-diamine
CID 158025779
5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 166011294
N,2-dimethyl-N,3-diphenylaniline
CID 54080390
N-methyl-2-[2-(N-methylanilino)phenyl]-N-phenylaniline
CID 132560477

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine (CID 58903662) is 1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine is CN(c1cccc(N(c2ccccc2)c2ccccc2)c1)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine?
The InChIKey is PMWLUBGLGCBNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2/c1-32(31-23-12-11-22-30(31)25-14-5-2-6-15-25)28-20-13-21-29(24-28)33(26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-24H,1H3.
What are the key properties of 1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine?
1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine has a molecular weight of 426.56 g/mol, XLogP of 8.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 58903662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).