N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine

C86H60N4 — CID 160619067

About N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine

N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine (PubChem CID 160619067) has the molecular formula C86H60N4 and a molecular weight of 1149.45 g/mol. Its IUPAC name is N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine
• PubChem CID: 160619067
• Molecular Formula: C86H60N4
• Molecular Weight: 1149.45 g/mol
• Exact Mass: 1148.48
• IUPAC Name: N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccc3c4ccccc4n(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C44H30N2.C42H30N2/c1-2-15-36(16-3-1)45(42-20-10-14-33-12-6-7-17-39(33)42)38-27-28-41-40-18-8-9-19-43(40)46(44(41)30-38)37-25-23-32(24-26-37)35-22-21-31-11-4-5-13-34(31)29-35;1-4-13-31(14-5-1)33-23-27-36(28-24-33)43(35-17-8-3-9-18-35)40-21-12-22-41-42(40)38-19-10-11-20-39(38)44(41)37-29-25-34(26-30-37)32-15-6-2-7-16-32/h1-30H;1-30H
• InChIKey: RGLVRWGOMDHIJQ-UHFFFAOYSA-N
• XLogP: 23.81
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1149.45
LogP ≤ 5	23.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine?

The IUPAC name of N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine (CID 160619067) is N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine.

What is the SMILES notation for N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine?

The canonical SMILES for N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccc3c4ccccc4n(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)c2cccc3ccccc23)cc1.

What is the InChIKey of N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine?

The InChIKey is RGLVRWGOMDHIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2.C42H30N2/c1-2-15-36(16-3-1)45(42-20-10-14-33-12-6-7-17-39(33)42)38-27-28-41-40-18-8-9-19-43(40)46(44(41)30-38)37-25-23-32(24-26-37)35-22-21-31-11-4-5-13-34(31)29-35;1-4-13-31(14-5-1)33-23-27-36(28-24-33)43(35-17-8-3-9-18-35)40-21-12-22-41-42(40)38-19-10-11-20-39(38)44(41)37-29-25-34(26-30-37)32-15-6-2-7-16-32/h1-30H;1-30H.

What are the key properties of N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine?

N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine has a molecular weight of 1149.45 g/mol, XLogP of 23.81, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 160619067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).