2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine

C48H32N6 — CID 130312575

About 2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine

2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine (PubChem CID 130312575) has the molecular formula C48H32N6 and a molecular weight of 692.83 g/mol. Its IUPAC name is 2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine.

Molecular Properties

• Compound Name: 2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine
• PubChem CID: 130312575
• Molecular Formula: C48H32N6
• Molecular Weight: 692.83 g/mol
• Exact Mass: 692.27
• IUPAC Name: 2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine
• SMILES: C1=CNC(c2cncc(-c3cccc(-c4ccc5c6ccccc6c6ccc(-c7cccc(-c8cncc(-c9ccccn9)c8)n7)cc6c5c4)n3)c2)C=C1
• InChI: InChI=1S/C48H32N6/c1-2-10-38-37(9-1)39-19-17-31(45-13-7-15-47(53-45)35-23-33(27-49-29-35)43-11-3-5-21-51-43)25-41(39)42-26-32(18-20-40(38)42)46-14-8-16-48(54-46)36-24-34(28-50-30-36)44-12-4-6-22-52-44/h1-30,43,51H
• InChIKey: DLYUFOSHWZFKRY-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 76.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.83
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine?

The IUPAC name of 2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine (CID 130312575) is 2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine.

What is the SMILES notation for 2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine?

The canonical SMILES for 2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine is C1=CNC(c2cncc(-c3cccc(-c4ccc5c6ccccc6c6ccc(-c7cccc(-c8cncc(-c9ccccn9)c8)n7)cc6c5c4)n3)c2)C=C1.

What is the InChIKey of 2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine?

The InChIKey is DLYUFOSHWZFKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6/c1-2-10-38-37(9-1)39-19-17-31(45-13-7-15-47(53-45)35-23-33(27-49-29-35)43-11-3-5-21-51-43)25-41(39)42-26-32(18-20-40(38)42)46-14-8-16-48(54-46)36-24-34(28-50-30-36)44-12-4-6-22-52-44/h1-30,43,51H.

What are the key properties of 2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine?

2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine has a molecular weight of 692.83 g/mol, XLogP of 11.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(1,2-dihydropyridin-2-yl)-3-pyridinyl]-6-[11-[6-(5-pyridin-2-yl-3-pyridinyl)-2-pyridinyl]triphenylen-2-yl]pyridine is sourced from PubChem (CID 130312575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).