4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile

C141H95N9 — CID 160712006

About 4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile

4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile (PubChem CID 160712006) has the molecular formula C141H95N9 and a molecular weight of 1915.37 g/mol. Its IUPAC name is 4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile.

Molecular Properties

• Compound Name: 4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile
• PubChem CID: 160712006
• Molecular Formula: C141H95N9
• Molecular Weight: 1915.37 g/mol
• Exact Mass: 1913.77
• IUPAC Name: 4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile
• SMILES: N#Cc1cccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4cc3-c3ccccc3)cc2)c1.[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2ccc(-c3cc4ccccc4cc3-c3ccccc3)cc2)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4cc3-c3ccccc3)cc2)cc1.[C-]#[N+]c1ccccc1N(c1ccccc1)c1ccc(-c2cc3ccccc3cc2-c2ccccc2)cc1
• InChI: InChI=1S/C36H23N3.3C35H24N2/c1-38-31-15-21-34(22-16-31)39(32-17-11-26(25-37)12-18-32)33-19-13-28(14-20-33)36-24-30-10-6-5-9-29(30)23-35(36)27-7-3-2-4-8-27;1-36-34-18-10-11-19-35(34)37(30-16-6-3-7-17-30)31-22-20-27(21-23-31)33-25-29-15-9-8-14-28(29)24-32(33)26-12-4-2-5-13-26;1-36-30-18-22-33(23-19-30)37(31-14-6-3-7-15-31)32-20-16-27(17-21-32)35-25-29-13-9-8-12-28(29)24-34(35)26-10-4-2-5-11-26;36-25-26-10-9-17-33(22-26)37(31-15-5-2-6-16-31)32-20-18-28(19-21-32)35-24-30-14-8-7-13-29(30)23-34(35)27-11-3-1-4-12-27/h2-24H;2*2-25H;1-24H
• InChIKey: RRZDTAVBCGQCCQ-UHFFFAOYSA-N
• XLogP: 39.97
• TPSA: 73.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1915.37
LogP ≤ 5	39.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile?

The IUPAC name of 4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile (CID 160712006) is 4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile.

What is the SMILES notation for 4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile?

The canonical SMILES for 4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile is N#Cc1cccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4cc3-c3ccccc3)cc2)c1.[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2ccc(-c3cc4ccccc4cc3-c3ccccc3)cc2)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4cc3-c3ccccc3)cc2)cc1.[C-]#[N+]c1ccccc1N(c1ccccc1)c1ccc(-c2cc3ccccc3cc2-c2ccccc2)cc1.

What is the InChIKey of 4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile?

The InChIKey is RRZDTAVBCGQCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3.3C35H24N2/c1-38-31-15-21-34(22-16-31)39(32-17-11-26(25-37)12-18-32)33-19-13-28(14-20-33)36-24-30-10-6-5-9-29(30)23-35(36)27-7-3-2-4-8-27;1-36-34-18-10-11-19-35(34)37(30-16-6-3-7-17-30)31-22-20-27(21-23-31)33-25-29-15-9-8-14-28(29)24-32(33)26-12-4-2-5-13-26;1-36-30-18-22-33(23-19-30)37(31-14-6-3-7-15-31)32-20-16-27(17-21-32)35-25-29-13-9-8-12-28(29)24-34(35)26-10-4-2-5-11-26;36-25-26-10-9-17-33(22-26)37(31-15-5-2-6-16-31)32-20-18-28(19-21-32)35-24-30-14-8-7-13-29(30)23-34(35)27-11-3-1-4-12-27/h2-24H;2*2-25H;1-24H.

What are the key properties of 4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile?

4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile has a molecular weight of 1915.37 g/mol, XLogP of 39.97, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[N-(4-isocyanophenyl)-4-(3-phenylnaphthalen-2-yl)anilino]benzonitrile;2-isocyano-N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]aniline;N-(4-isocyanophenyl)-N-phenyl-4-(3-phenylnaphthalen-2-yl)aniline;3-(N-[4-(3-phenylnaphthalen-2-yl)phenyl]anilino)benzonitrile is sourced from PubChem (CID 160712006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).