4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline

C63H44N2 — CID 146578411

About 4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline

4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 146578411) has the molecular formula C63H44N2 and a molecular weight of 829.06 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
• PubChem CID: 146578411
• Molecular Formula: C63H44N2
• Molecular Weight: 829.06 g/mol
• Exact Mass: 828.35
• IUPAC Name: 4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
• SMILES: Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccc1N(c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1)c1ccc(-c2cccc3ccccc23)cc1
• InChI: InChI=1S/C63H44N2/c1-43-40-52(51-16-10-17-56(42-51)65-62-22-8-6-19-59(62)60-20-7-9-23-63(60)65)34-39-61(43)64(55-37-32-49(33-38-55)58-21-11-15-48-13-4-5-18-57(48)58)54-35-30-46(31-36-54)45-24-26-47(27-25-45)53-29-28-44-12-2-3-14-50(44)41-53/h2-42H,1H3
• InChIKey: AFJSZRCESQCVSH-UHFFFAOYSA-N
• XLogP: 17.54
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.06
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?

The IUPAC name of 4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline (CID 146578411) is 4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline.

What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?

The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline is Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccc1N(c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1)c1ccc(-c2cccc3ccccc23)cc1.

What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?

The InChIKey is AFJSZRCESQCVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2/c1-43-40-52(51-16-10-17-56(42-51)65-62-22-8-6-19-59(62)60-20-7-9-23-63(60)65)34-39-61(43)64(55-37-32-49(33-38-55)58-21-11-15-48-13-4-5-18-57(48)58)54-35-30-46(31-36-54)45-24-26-47(27-25-45)53-29-28-44-12-2-3-14-50(44)41-53/h2-42H,1H3.

What are the key properties of 4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline?

4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline has a molecular weight of 829.06 g/mol, XLogP of 17.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-carbazol-9-ylphenyl)-2-methyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 146578411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).