N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline

C66H45N3 — CID 71038382

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 71038382) has the molecular formula C66H45N3 and a molecular weight of 880.11 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
• PubChem CID: 71038382
• Molecular Formula: C66H45N3
• Molecular Weight: 880.11 g/mol
• Exact Mass: 879.36
• IUPAC Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C66H45N3/c1-3-13-46(14-4-1)47-23-25-48(26-24-47)49-27-36-55(37-28-49)67(56-38-29-50(30-39-56)51-31-42-58(43-32-51)68-63-20-10-7-17-59(63)60-18-8-11-21-64(60)68)57-40-33-52(34-41-57)53-35-44-62-61-19-9-12-22-65(61)69(66(62)45-53)54-15-5-2-6-16-54/h1-45H
• InChIKey: AEDOIUQOGPFYTG-UHFFFAOYSA-N
• XLogP: 18.02
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.11
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline (CID 71038382) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline.

What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline?

The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline?

The InChIKey is AEDOIUQOGPFYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3/c1-3-13-46(14-4-1)47-23-25-48(26-24-47)49-27-36-55(37-28-49)67(56-38-29-50(30-39-56)51-31-42-58(43-32-51)68-63-20-10-7-17-59(63)60-18-8-11-21-64(60)68)57-40-33-52(34-41-57)53-35-44-62-61-19-9-12-22-65(61)69(66(62)45-53)54-15-5-2-6-16-54/h1-45H.

What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline?

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline has a molecular weight of 880.11 g/mol, XLogP of 18.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 71038382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).