3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

C62H48N2 — CID 167195058

About 3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 167195058) has the molecular formula C62H48N2 and a molecular weight of 821.08 g/mol. Its IUPAC name is 3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
• PubChem CID: 167195058
• Molecular Formula: C62H48N2
• Molecular Weight: 821.08 g/mol
• Exact Mass: 820.38
• IUPAC Name: 3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
• SMILES: C/C=C\c1cc2c3c(-c4cccc(N(c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c5ccc(-c6cccc7ccccc67)cc5)c4)cccc3n(C3=CCCC=C3)c2cc1C
• InChI: InChI=1S/C62H48N2/c1-3-16-48-42-59-61(39-43(48)2)64(52-24-8-5-9-25-52)60-30-15-29-58(62(59)60)51-23-13-26-55(41-51)63(54-37-33-47(34-38-54)57-28-14-20-46-19-10-11-27-56(46)57)53-35-31-45(32-36-53)50-22-12-21-49(40-50)44-17-6-4-7-18-44/h3-4,6-8,10-42H,5,9H2,1-2H3/b16-3-
• InChIKey: LJWCNAFYHZQCJP-XFQLMFQHSA-N
• XLogP: 17.62
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.08
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?

The IUPAC name of 3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (CID 167195058) is 3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.

What is the SMILES notation for 3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?

The canonical SMILES for 3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is C/C=C\c1cc2c3c(-c4cccc(N(c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c5ccc(-c6cccc7ccccc67)cc5)c4)cccc3n(C3=CCCC=C3)c2cc1C.

What is the InChIKey of 3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?

The InChIKey is LJWCNAFYHZQCJP-XFQLMFQHSA-N. The full InChI is InChI=1S/C62H48N2/c1-3-16-48-42-59-61(39-43(48)2)64(52-24-8-5-9-25-52)60-30-15-29-58(62(59)60)51-23-13-26-55(41-51)63(54-37-33-47(34-38-54)57-28-14-20-46-19-10-11-27-56(46)57)53-35-31-45(32-36-53)50-22-12-21-49(40-50)44-17-6-4-7-18-44/h3-4,6-8,10-42H,5,9H2,1-2H3/b16-3-.

What are the key properties of 3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?

3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 821.08 g/mol, XLogP of 17.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167195058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).