6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine

C49H35N — CID 143494720

About 6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine

6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine (PubChem CID 143494720) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is 6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine.

Molecular Properties

• Compound Name: 6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine
• PubChem CID: 143494720
• Molecular Formula: C49H35N
• Molecular Weight: 637.83 g/mol
• Exact Mass: 637.28
• IUPAC Name: 6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine
• SMILES: Cc1ccc2c(-c3ccccc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)ccc3c(-c3ccccc3)c2c1
• InChI: InChI=1S/C49H35N/c1-34-21-29-44-46(31-34)48(38-16-7-3-8-17-38)45-30-28-43(33-47(45)49(44)39-18-9-4-10-19-39)50(42-27-24-36-15-11-12-20-40(36)32-42)41-25-22-37(23-26-41)35-13-5-2-6-14-35/h2-33H,1H3
• InChIKey: OMALRXIQPOTQPH-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.83
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine?

The IUPAC name of 6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine (CID 143494720) is 6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine.

What is the SMILES notation for 6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine?

The canonical SMILES for 6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine is Cc1ccc2c(-c3ccccc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)ccc3c(-c3ccccc3)c2c1.

What is the InChIKey of 6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine?

The InChIKey is OMALRXIQPOTQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-34-21-29-44-46(31-34)48(38-16-7-3-8-17-38)45-30-28-43(33-47(45)49(44)39-18-9-4-10-19-39)50(42-27-24-36-15-11-12-20-40(36)32-42)41-25-22-37(23-26-41)35-13-5-2-6-14-35/h2-33H,1H3.

What are the key properties of 6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine?

6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine has a molecular weight of 637.83 g/mol, XLogP of 13.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine is sourced from PubChem (CID 143494720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).