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

C64H43N3 — CID 71038259

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

N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 71038259) has the molecular formula C64H43N3 and a molecular weight of 854.07 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
• PubChem CID: 71038259
• Molecular Formula: C64H43N3
• Molecular Weight: 854.07 g/mol
• Exact Mass: 853.35
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C64H43N3/c1-3-15-44(16-4-1)45-27-29-46(30-28-45)47-31-34-50(35-32-47)65(51-36-38-52(39-37-51)67-60-24-12-9-21-56(60)57-22-10-13-25-61(57)67)63-42-40-53(54-19-7-8-20-55(54)63)48-33-41-64-59(43-48)58-23-11-14-26-62(58)66(64)49-17-5-2-6-18-49/h1-43H
• InChIKey: KRTUFRXFWKQCSN-UHFFFAOYSA-N
• XLogP: 17.50
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.07
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (CID 71038259) is N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.

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

The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)cc3)cc2)cc1.

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

The InChIKey is KRTUFRXFWKQCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3/c1-3-15-44(16-4-1)45-27-29-46(30-28-45)47-31-34-50(35-32-47)65(51-36-38-52(39-37-51)67-60-24-12-9-21-56(60)57-22-10-13-25-61(57)67)63-42-40-53(54-19-7-8-20-55(54)63)48-33-41-64-59(43-48)58-23-11-14-26-62(58)66(64)49-17-5-2-6-18-49/h1-43H.

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

N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 854.07 g/mol, XLogP of 17.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 71038259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).