N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline

C66H44N2 — CID 166660520

About N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline

N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline (PubChem CID 166660520) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
• PubChem CID: 166660520
• Molecular Formula: C66H44N2
• Molecular Weight: 865.09 g/mol
• Exact Mass: 864.35
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
• SMILES: c1ccc(-n2c3cccc(-c4cccc(N(c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)c5ccc(-c6cccc7ccccc67)cc5)c4)c3c3c4ccccc4ccc32)cc1
• InChI: InChI=1S/C66H44N2/c1-2-20-53(21-3-1)68-63-29-13-28-62(66(63)65-61-25-9-6-16-49(61)38-43-64(65)68)52-19-10-22-56(44-52)67(55-41-36-51(37-42-55)60-27-12-18-48-15-5-8-24-58(48)60)54-39-34-46(35-40-54)45-30-32-50(33-31-45)59-26-11-17-47-14-4-7-23-57(47)59/h1-44H
• InChIKey: KLCLTJXDHKRNOU-UHFFFAOYSA-N
• XLogP: 18.38
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.09
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline (CID 166660520) is N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline is c1ccc(-n2c3cccc(-c4cccc(N(c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)c5ccc(-c6cccc7ccccc67)cc5)c4)c3c3c4ccccc4ccc32)cc1.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline?

The InChIKey is KLCLTJXDHKRNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-2-20-53(21-3-1)68-63-29-13-28-62(66(63)65-61-25-9-6-16-49(61)38-43-64(65)68)52-19-10-22-56(44-52)67(55-41-36-51(37-42-55)60-27-12-18-48-15-5-8-24-58(48)60)54-39-34-46(35-40-54)45-30-32-50(33-31-45)59-26-11-17-47-14-4-7-23-57(47)59/h1-44H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline?

N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline has a molecular weight of 865.09 g/mol, XLogP of 18.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline is sourced from PubChem (CID 166660520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).