6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine

C30H19N5 — CID 176818963

About 6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine

6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine (PubChem CID 176818963) has the molecular formula C30H19N5 and a molecular weight of 449.52 g/mol. Its IUPAC name is 6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine.

Molecular Properties

• Compound Name: 6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine
• PubChem CID: 176818963
• Molecular Formula: C30H19N5
• Molecular Weight: 449.52 g/mol
• Exact Mass: 449.16
• IUPAC Name: 6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine
• SMILES: c1ccc(-c2ccc3nc(-c4ccc(-c5nc6ccccc6c6ccccc56)nc4)nn3c2)cc1
• InChI: InChI=1S/C30H19N5/c1-2-8-20(9-3-1)22-15-17-28-33-30(34-35(28)19-22)21-14-16-27(31-18-21)29-25-12-5-4-10-23(25)24-11-6-7-13-26(24)32-29/h1-19H
• InChIKey: HEAPYPRVEFVZBR-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 55.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.52
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine?

The IUPAC name of 6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine (CID 176818963) is 6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine.

What is the SMILES notation for 6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine?

The canonical SMILES for 6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine is c1ccc(-c2ccc3nc(-c4ccc(-c5nc6ccccc6c6ccccc56)nc4)nn3c2)cc1.

What is the InChIKey of 6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine?

The InChIKey is HEAPYPRVEFVZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N5/c1-2-8-20(9-3-1)22-15-17-28-33-30(34-35(28)19-22)21-14-16-27(31-18-21)29-25-12-5-4-10-23(25)24-11-6-7-13-26(24)32-29/h1-19H.

What are the key properties of 6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine?

6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine has a molecular weight of 449.52 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]phenanthridine is sourced from PubChem (CID 176818963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).