N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine

C62H42N2 — CID 174309818

About N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine

N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine (PubChem CID 174309818) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
• PubChem CID: 174309818
• Molecular Formula: C62H42N2
• Molecular Weight: 815.03 g/mol
• Exact Mass: 814.33
• IUPAC Name: N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
• SMILES: c1ccc(-c2cc(N(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3ccc4ccccc4c3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
• InChI: InChI=1S/C62H42N2/c1-2-17-46(18-3-1)59-42-52(38-39-55(59)56-25-8-11-29-60(56)64-61-30-12-9-26-57(61)58-27-10-13-31-62(58)64)63(51-37-34-43-16-4-5-20-48(43)41-51)50-35-32-44(33-36-50)47-22-14-23-49(40-47)54-28-15-21-45-19-6-7-24-53(45)54/h1-42H
• InChIKey: NBSDTAVUSQXWQM-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.03
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine?

The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine (CID 174309818) is N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine.

What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine?

The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine is c1ccc(-c2cc(N(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3ccc4ccccc4c3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.

What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine?

The InChIKey is NBSDTAVUSQXWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-2-17-46(18-3-1)59-42-52(38-39-55(59)56-25-8-11-29-60(56)64-61-30-12-9-26-57(61)58-27-10-13-31-62(58)64)63(51-37-34-43-16-4-5-20-48(43)41-51)50-35-32-44(33-36-50)47-22-14-23-49(40-47)54-28-15-21-45-19-6-7-24-53(45)54/h1-42H.

What are the key properties of N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine?

N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine has a molecular weight of 815.03 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 174309818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).