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

C70H48N2 — CID 118901543

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

4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 118901543) has the molecular formula C70H48N2 and a molecular weight of 917.17 g/mol. Its IUPAC name is 4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
• PubChem CID: 118901543
• Molecular Formula: C70H48N2
• Molecular Weight: 917.17 g/mol
• Exact Mass: 916.38
• IUPAC Name: 4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
• SMILES: c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cc4)c4ccc(-c5cccc(-c6cccc7ccccc67)c5)cc4)cc3)c2)cc1
• InChI: InChI=1S/C70H48N2/c1-2-15-49(16-3-1)54-19-10-20-55(45-54)50-33-39-61(40-34-50)71(63-43-37-52(38-44-63)57-22-12-25-60(47-57)66-30-14-18-53-17-4-5-27-65(53)66)62-41-35-51(36-42-62)56-21-11-23-58(46-56)59-24-13-26-64(48-59)72-69-31-8-6-28-67(69)68-29-7-9-32-70(68)72/h1-48H
• InChIKey: YHLRBOBHGHQTCN-UHFFFAOYSA-N
• XLogP: 19.41
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.17
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (CID 118901543) is 4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.

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

The canonical SMILES for 4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cc4)c4ccc(-c5cccc(-c6cccc7ccccc67)c5)cc4)cc3)c2)cc1.

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

The InChIKey is YHLRBOBHGHQTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2/c1-2-15-49(16-3-1)54-19-10-20-55(45-54)50-33-39-61(40-34-50)71(63-43-37-52(38-44-63)57-22-12-25-60(47-57)66-30-14-18-53-17-4-5-27-65(53)66)62-41-35-51(36-42-62)56-21-11-23-58(46-56)59-24-13-26-64(48-59)72-69-31-8-6-28-67(69)68-29-7-9-32-70(68)72/h1-48H.

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

4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 917.17 g/mol, XLogP of 19.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 118901543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).