2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine

C38H26N4 — CID 130312567

About 2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine

2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine (PubChem CID 130312567) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine
• PubChem CID: 130312567
• Molecular Formula: C38H26N4
• Molecular Weight: 538.65 g/mol
• Exact Mass: 538.22
• IUPAC Name: 2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine
• SMILES: C1=CC(c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccccn7)cn6)cc5c5ccccc5c4c3)nc2)=NCC1
• InChI: InChI=1S/C38H26N4/c1-2-8-30-29(7-1)33-21-25(37-17-13-27(23-41-37)35-9-3-5-19-39-35)11-15-31(33)32-16-12-26(22-34(30)32)38-18-14-28(24-42-38)36-10-4-6-20-40-36/h1-5,7-19,21-24H,6,20H2
• InChIKey: SWNLQOZXRJFHND-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 51.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.65
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine?

The IUPAC name of 2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine (CID 130312567) is 2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine.

What is the SMILES notation for 2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine?

The canonical SMILES for 2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine is C1=CC(c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccccn7)cn6)cc5c5ccccc5c4c3)nc2)=NCC1.

What is the InChIKey of 2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine?

The InChIKey is SWNLQOZXRJFHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-2-8-30-29(7-1)33-21-25(37-17-13-27(23-41-37)35-9-3-5-19-39-35)11-15-31(33)32-16-12-26(22-34(30)32)38-18-14-28(24-42-38)36-10-4-6-20-40-36/h1-5,7-19,21-24H,6,20H2.

What are the key properties of 2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine?

2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine has a molecular weight of 538.65 g/mol, XLogP of 9.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[5-(2,3-dihydropyridin-6-yl)-2-pyridinyl]triphenylen-2-yl]-5-pyridin-2-ylpyridine is sourced from PubChem (CID 130312567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).