N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(N-methyl-2-phenylanilino)phenyl]phenyl]naphthalen-2-amine

C59H43N3 — CID 137467140

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(N-methyl-2-phenylanilino)phenyl]phenyl]naphthalen-2-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(N-methyl-2-phenylanilino)phenyl]phenyl]naphthalen-2-amine (PubChem CID 137467140) has the molecular formula C59H43N3 and a molecular weight of 794.01 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(N-methyl-2-phenylanilino)phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(N-methyl-2-phenylanilino)phenyl]phenyl]naphthalen-2-amine
• PubChem CID: 137467140
• Molecular Formula: C59H43N3
• Molecular Weight: 794.01 g/mol
• Exact Mass: 793.35
• IUPAC Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(N-methyl-2-phenylanilino)phenyl]phenyl]naphthalen-2-amine
• SMILES: CN(c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4ccccc4c3)cc2)cc1)c1ccccc1-c1ccccc1
• InChI: InChI=1S/C59H43N3/c1-60(57-20-10-7-17-54(57)47-14-3-2-4-15-47)49-32-23-43(24-33-49)44-25-34-50(35-26-44)61(53-40-31-42-13-5-6-16-48(42)41-53)51-36-27-45(28-37-51)46-29-38-52(39-30-46)62-58-21-11-8-18-55(58)56-19-9-12-22-59(56)62/h2-41H,1H3
• InChIKey: LKMGFVRXUXVKSD-UHFFFAOYSA-N
• XLogP: 16.18
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.01
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(N-methyl-2-phenylanilino)phenyl]phenyl]naphthalen-2-amine (CID 137467140) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(N-methyl-2-phenylanilino)phenyl]phenyl]naphthalen-2-amine.

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

The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(N-methyl-2-phenylanilino)phenyl]phenyl]naphthalen-2-amine is CN(c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4ccccc4c3)cc2)cc1)c1ccccc1-c1ccccc1.

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

The InChIKey is LKMGFVRXUXVKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N3/c1-60(57-20-10-7-17-54(57)47-14-3-2-4-15-47)49-32-23-43(24-33-49)44-25-34-50(35-26-44)61(53-40-31-42-13-5-6-16-48(42)41-53)51-36-27-45(28-37-51)46-29-38-52(39-30-46)62-58-21-11-8-18-55(58)56-19-9-12-22-59(56)62/h2-41H,1H3.

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

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(N-methyl-2-phenylanilino)phenyl]phenyl]naphthalen-2-amine has a molecular weight of 794.01 g/mol, XLogP of 16.18, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(N-methyl-2-phenylanilino)phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 137467140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).