1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine

C46H36N2 — CID 141305521

IUPAC1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCc1c(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4C)cc3)cc2)ccc2ccccc12
InChIInChI=1S/C46H36N2/c1-33-43-19-11-9-13-37(43)25-31-45(33)47(39-15-5-3-6-16-39)41-27-21-35(22-28-41)36-23-29-42(30-24-36)48(40-17-7-4-8-18-40)46-32-26-38-14-10-12-20-44(38)34(46)2/h3-32H,1-2H3
InChIKeyCEFBZACMZGMDSC-UHFFFAOYSA-N
MW616.81 g/mol
LogP13.22
Rot. Bonds7

About 1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine

1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 141305521) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is 1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID141305521
Molecular FormulaC46H36N2
Molecular Weight616.81 g/mol
Exact Mass616.29
IUPAC Name1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCc1c(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4C)cc3)cc2)ccc2ccccc12
InChIInChI=1S/C46H36N2/c1-33-43-19-11-9-13-37(43)25-31-45(33)47(39-15-5-3-6-16-39)41-27-21-35(22-28-41)36-23-29-42(30-24-36)48(40-17-7-4-8-18-40)46-32-26-38-14-10-12-20-44(38)34(46)2/h3-32H,1-2H3
InChIKeyCEFBZACMZGMDSC-UHFFFAOYSA-N
XLogP13.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
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-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
2-methyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 144939242

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of 1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 141305521) is 1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for 1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine is Cc1c(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4C)cc3)cc2)ccc2ccccc12.
What is the InChIKey of 1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is CEFBZACMZGMDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2/c1-33-43-19-11-9-13-37(43)25-31-45(33)47(39-15-5-3-6-16-39)41-27-21-35(22-28-41)36-23-29-42(30-24-36)48(40-17-7-4-8-18-40)46-32-26-38-14-10-12-20-44(38)34(46)2/h3-32H,1-2H3.
What are the key properties of 1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 616.81 g/mol, XLogP of 13.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 141305521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).