1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine

C36H30N2 — CID 59431746

IUPAC1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESCc1cccc(N(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C36H30N2/c1-27-10-8-15-34(26-27)37(2)31-22-24-33(25-23-31)38(36-17-9-14-30-13-6-7-16-35(30)36)32-20-18-29(19-21-32)28-11-4-3-5-12-28/h3-26H,1-2H3
InChIKeySZEZHDIAZQJKOA-UHFFFAOYSA-N
MW490.65 g/mol
LogP10.05
Rot. Bonds6

About 1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine

1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 59431746) has the molecular formula C36H30N2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
PubChem CID59431746
Molecular FormulaC36H30N2
Molecular Weight490.65 g/mol
Exact Mass490.24
IUPAC Name1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESCc1cccc(N(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C36H30N2/c1-27-10-8-15-34(26-27)37(2)31-22-24-33(25-23-31)38(36-17-9-14-30-13-6-7-16-35(30)36)32-20-18-29(19-21-32)28-11-4-3-5-12-28/h3-26H,1-2H3
InChIKeySZEZHDIAZQJKOA-UHFFFAOYSA-N
XLogP10.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 160664392
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 158590649
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
1-N-methyl-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 59431943
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 160638191
N-[4-[4-[4-(3-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-(3-methylphenyl)naphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 157153333
1-N-methyl-4-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-1-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-1-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 162038104
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine;N-methyl-N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]naphthalen-2-amine
CID 159163258
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161212613
N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 91284836
1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431568

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine (CID 59431746) is 1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine is Cc1cccc(N(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2)c1.
What is the InChIKey of 1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The InChIKey is SZEZHDIAZQJKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2/c1-27-10-8-15-34(26-27)37(2)31-22-24-33(25-23-31)38(36-17-9-14-30-13-6-7-16-35(30)36)32-20-18-29(19-21-32)28-11-4-3-5-12-28/h3-26H,1-2H3.
What are the key properties of 1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 490.65 g/mol, XLogP of 10.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 59431746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).