3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

C107H82N8 — CID 161201075

About 3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 161201075) has the molecular formula C107H82N8 and a molecular weight of 1479.89 g/mol. Its IUPAC name is 3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: 3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
• PubChem CID: 161201075
• Molecular Formula: C107H82N8
• Molecular Weight: 1479.89 g/mol
• Exact Mass: 1478.67
• IUPAC Name: 3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
• SMILES: CN(c1ccc(C#N)cc1)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)cc1.CN(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)cc1)c1cccc(C#N)c1.CN(c1ccccc1)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/2C36H27N3.C35H28N2/c1-38(34-14-7-9-27(25-34)26-37)31-21-23-33(24-22-31)39(36-16-8-13-30-12-5-6-15-35(30)36)32-19-17-29(18-20-32)28-10-3-2-4-11-28;1-38(31-18-14-27(26-37)15-19-31)32-22-24-34(25-23-32)39(36-13-7-11-30-10-5-6-12-35(30)36)33-20-16-29(17-21-33)28-8-3-2-4-9-28;1-36(31-14-6-3-7-15-31)32-22-24-34(25-23-32)37(35-21-18-28-12-8-9-13-30(28)26-35)33-19-16-29(17-20-33)27-10-4-2-5-11-27/h2*2-25H,1H3;2-26H,1H3
• InChIKey: UUZFGBZNCZMXKM-UHFFFAOYSA-N
• XLogP: 28.98
• TPSA: 67.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1479.89
LogP ≤ 5	28.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?

The IUPAC name of 3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (CID 161201075) is 3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.

What is the SMILES notation for 3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?

The canonical SMILES for 3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is CN(c1ccc(C#N)cc1)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)cc1.CN(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3ccccc23)cc1)c1cccc(C#N)c1.CN(c1ccccc1)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3ccccc3c2)cc1.

What is the InChIKey of 3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?

The InChIKey is UUZFGBZNCZMXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H27N3.C35H28N2/c1-38(34-14-7-9-27(25-34)26-37)31-21-23-33(24-22-31)39(36-16-8-13-30-12-5-6-15-35(30)36)32-19-17-29(18-20-32)28-10-3-2-4-11-28;1-38(31-18-14-27(26-37)15-19-31)32-22-24-34(25-23-32)39(36-13-7-11-30-10-5-6-12-35(30)36)33-20-16-29(17-21-33)28-8-3-2-4-9-28;1-36(31-14-6-3-7-15-31)32-22-24-34(25-23-32)37(35-21-18-28-12-8-9-13-30(28)26-35)33-19-16-29(17-20-33)27-10-4-2-5-11-27/h2*2-25H,1H3;2-26H,1H3.

What are the key properties of 3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?

3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 1479.89 g/mol, XLogP of 28.98, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 161201075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).