N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine

C47H32N2 — CID 59390674

About N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine

N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine (PubChem CID 59390674) has the molecular formula C47H32N2 and a molecular weight of 624.79 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
• PubChem CID: 59390674
• Molecular Formula: C47H32N2
• Molecular Weight: 624.79 g/mol
• Exact Mass: 624.26
• IUPAC Name: N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccn5)c5cccc6ccccc56)cc4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C47H32N2/c1-2-13-33(14-3-1)34-24-26-36(27-25-34)46-40-18-6-8-20-42(40)47(43-21-9-7-19-41(43)46)37-28-30-38(31-29-37)49(45-23-10-11-32-48-45)44-22-12-16-35-15-4-5-17-39(35)44/h1-32H
• InChIKey: PZJQKUGMDIDVCN-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.79
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine?

The IUPAC name of N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine (CID 59390674) is N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine.

What is the SMILES notation for N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine?

The canonical SMILES for N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccn5)c5cccc6ccccc56)cc4)c4ccccc34)cc2)cc1.

What is the InChIKey of N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine?

The InChIKey is PZJQKUGMDIDVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2/c1-2-13-33(14-3-1)34-24-26-36(27-25-34)46-40-18-6-8-20-42(40)47(43-21-9-7-19-41(43)46)37-28-30-38(31-29-37)49(45-23-10-11-32-48-45)44-22-12-16-35-15-4-5-17-39(35)44/h1-32H.

What are the key properties of N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine?

N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine has a molecular weight of 624.79 g/mol, XLogP of 13.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 59390674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).