2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine

C54H38N2 — CID 130453294

About 2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine

2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine (PubChem CID 130453294) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine.

Molecular Properties

• Compound Name: 2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine
• PubChem CID: 130453294
• Molecular Formula: C54H38N2
• Molecular Weight: 714.91 g/mol
• Exact Mass: 714.30
• IUPAC Name: 2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine
• SMILES: C1=CCC(c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccn5)c4)c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc34)c2)N=C1
• InChI: InChI=1S/C54H38N2/c1-3-15-37(16-4-1)44-33-45(38-17-5-2-6-18-38)35-46(34-44)39-27-28-49-50(36-39)54(43-22-14-20-41(32-43)52-26-10-12-30-56-52)48-24-8-7-23-47(48)53(49)42-21-13-19-40(31-42)51-25-9-11-29-55-51/h1-25,27-36,52H,26H2
• InChIKey: DFBCDQRWJBGRBN-UHFFFAOYSA-N
• XLogP: 14.46
• TPSA: 25.25 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.91
LogP ≤ 5	14.46
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 2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine?

The IUPAC name of 2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine (CID 130453294) is 2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine.

What is the SMILES notation for 2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine?

The canonical SMILES for 2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine is C1=CCC(c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccn5)c4)c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc34)c2)N=C1.

What is the InChIKey of 2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine?

The InChIKey is DFBCDQRWJBGRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-3-15-37(16-4-1)44-33-45(38-17-5-2-6-18-38)35-46(34-44)39-27-28-49-50(36-39)54(43-22-14-20-41(32-43)52-26-10-12-30-56-52)48-24-8-7-23-47(48)53(49)42-21-13-19-40(31-42)51-25-9-11-29-55-51/h1-25,27-36,52H,26H2.

What are the key properties of 2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine?

2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine has a molecular weight of 714.91 g/mol, XLogP of 14.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 130453294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).