4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C60H44N2 — CID 146578828

About 4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 146578828) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
• PubChem CID: 146578828
• Molecular Formula: C60H44N2
• Molecular Weight: 793.03 g/mol
• Exact Mass: 792.35
• IUPAC Name: 4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
• SMILES: Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(C)c1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2cccc3ccccc23)cc1
• InChI: InChI=1S/C60H44N2/c1-41-38-50(49-18-12-19-53(40-49)62-58-24-10-8-21-56(58)57-22-9-11-25-59(57)62)39-42(2)60(41)61(52-36-32-48(33-37-52)55-23-13-17-47-16-6-7-20-54(47)55)51-34-30-46(31-35-51)45-28-26-44(27-29-45)43-14-4-3-5-15-43/h3-40H,1-2H3
• InChIKey: LSKKCUWJIPZIMO-UHFFFAOYSA-N
• XLogP: 16.69
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.03
LogP ≤ 5	16.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?

The IUPAC name of 4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 146578828) is 4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?

The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(C)c1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2cccc3ccccc23)cc1.

What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?

The InChIKey is LSKKCUWJIPZIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-41-38-50(49-18-12-19-53(40-49)62-58-24-10-8-21-56(58)57-22-9-11-25-59(57)62)39-42(2)60(41)61(52-36-32-48(33-37-52)55-23-13-17-47-16-6-7-20-54(47)55)51-34-30-46(31-35-51)45-28-26-44(27-29-45)43-14-4-3-5-15-43/h3-40H,1-2H3.

What are the key properties of 4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?

4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 793.03 g/mol, XLogP of 16.69, 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)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 146578828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).