N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile

C165H111N7 — CID 158321390

About N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile

N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile (PubChem CID 158321390) has the molecular formula C165H111N7 and a molecular weight of 2191.75 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile.

Molecular Properties

• Compound Name: N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile
• PubChem CID: 158321390
• Molecular Formula: C165H111N7
• Molecular Weight: 2191.75 g/mol
• Exact Mass: 2189.89
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile
• SMILES: N#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)c5ccccc45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc3cc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)ccc3c2)cc1
• InChI: InChI=1S/2C56H38N2.C53H35N3/c1-2-11-39(12-3-1)43-21-23-46-38-44(22-24-45(46)37-43)40-25-29-47(30-26-40)57(48-31-27-42(28-32-48)52-18-10-14-41-13-4-5-15-51(41)52)49-33-35-50(36-34-49)58-55-19-8-6-16-53(55)54-17-7-9-20-56(54)58;1-2-10-39(11-3-1)44-20-22-48-38-46(21-23-47(48)37-44)42-26-30-50(31-27-42)57(49-28-24-41(25-29-49)45-19-18-40-12-4-5-13-43(40)36-45)51-32-34-52(35-33-51)58-55-16-8-6-14-53(55)54-15-7-9-17-56(54)58;54-36-37-18-20-38(21-19-37)39-22-26-42(27-23-39)55(44-30-32-45(33-31-44)56-52-16-8-6-14-50(52)51-15-7-9-17-53(51)56)43-28-24-41(25-29-43)47-35-34-46(40-10-2-1-3-11-40)48-12-4-5-13-49(47)48/h2*1-38H;1-35H
• InChIKey: GOWWOHQXQFAUIW-UHFFFAOYSA-N
• XLogP: 45.40
• TPSA: 48.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 21
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2191.75
LogP ≤ 5	45.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile?

The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile (CID 158321390) is N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile.

What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile?

The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)c5ccccc45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc3cc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)ccc3c2)cc1.c1ccc(-c2ccc3cc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)ccc3c2)cc1.

What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile?

The InChIKey is GOWWOHQXQFAUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H38N2.C53H35N3/c1-2-11-39(12-3-1)43-21-23-46-38-44(22-24-45(46)37-43)40-25-29-47(30-26-40)57(48-31-27-42(28-32-48)52-18-10-14-41-13-4-5-15-51(41)52)49-33-35-50(36-34-49)58-55-19-8-6-16-53(55)54-17-7-9-20-56(54)58;1-2-10-39(11-3-1)44-20-22-48-38-46(21-23-47(48)37-44)42-26-30-50(31-27-42)57(49-28-24-41(25-29-49)45-19-18-40-12-4-5-13-43(40)36-45)51-32-34-52(35-33-51)58-55-16-8-6-14-53(55)54-15-7-9-17-56(54)58;54-36-37-18-20-38(21-19-37)39-22-26-42(27-23-39)55(44-30-32-45(33-31-44)56-52-16-8-6-14-50(52)51-15-7-9-17-53(51)56)43-28-24-41(25-29-43)47-35-34-46(40-10-2-1-3-11-40)48-12-4-5-13-49(47)48/h2*1-38H;1-35H.

What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile?

N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile has a molecular weight of 2191.75 g/mol, XLogP of 45.40, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile is sourced from PubChem (CID 158321390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).