5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine

C48H32N6 — CID 130312510

About 5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine

5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine (PubChem CID 130312510) has the molecular formula C48H32N6 and a molecular weight of 692.83 g/mol. Its IUPAC name is 5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine.

Molecular Properties

• Compound Name: 5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine
• PubChem CID: 130312510
• Molecular Formula: C48H32N6
• Molecular Weight: 692.83 g/mol
• Exact Mass: 692.27
• IUPAC Name: 5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine
• SMILES: C1=CCNC(c2ccc(-c3ccc4c(c3)c3ccc(-c5ccc(-c6ccccn6)nc5)cc3c3ccc(-c5ccc(-c6ccccn6)nc5)cc43)cn2)=C1
• InChI: InChI=1S/C48H32N6/c1-4-22-49-43(7-1)46-19-13-34(28-52-46)31-10-16-37-40(25-31)38-17-11-32(35-14-20-47(53-29-35)44-8-2-5-23-50-44)27-42(38)39-18-12-33(26-41(37)39)36-15-21-48(54-30-36)45-9-3-6-24-51-45/h1-23,25-30,51H,24H2
• InChIKey: NPFARWDJIDZRDJ-UHFFFAOYSA-N
• XLogP: 10.96
• 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	10.96
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 5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine?

The IUPAC name of 5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine (CID 130312510) is 5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine.

What is the SMILES notation for 5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine?

The canonical SMILES for 5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine is C1=CCNC(c2ccc(-c3ccc4c(c3)c3ccc(-c5ccc(-c6ccccn6)nc5)cc3c3ccc(-c5ccc(-c6ccccn6)nc5)cc43)cn2)=C1.

What is the InChIKey of 5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine?

The InChIKey is NPFARWDJIDZRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6/c1-4-22-49-43(7-1)46-19-13-34(28-52-46)31-10-16-37-40(25-31)38-17-11-32(35-14-20-47(53-29-35)44-8-2-5-23-50-44)27-42(38)39-18-12-33(26-41(37)39)36-15-21-48(54-30-36)45-9-3-6-24-51-45/h1-23,25-30,51H,24H2.

What are the key properties of 5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine?

5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine has a molecular weight of 692.83 g/mol, XLogP of 10.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine is sourced from PubChem (CID 130312510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).