6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine

C38H24N6 — CID 176818985

About 6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine

6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine (PubChem CID 176818985) has the molecular formula C38H24N6 and a molecular weight of 564.65 g/mol. Its IUPAC name is 6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine.

Molecular Properties

• Compound Name: 6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine
• PubChem CID: 176818985
• Molecular Formula: C38H24N6
• Molecular Weight: 564.65 g/mol
• Exact Mass: 564.21
• IUPAC Name: 6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccnc(-c5nc6ccccc6c6ccccc56)c4)ccn3)n2)cc1
• InChI: InChI=1S/C38H24N6/c1-3-11-25(12-4-1)36-42-37(26-13-5-2-6-14-26)44-38(43-36)34-24-28(20-22-40-34)27-19-21-39-33(23-27)35-31-17-8-7-15-29(31)30-16-9-10-18-32(30)41-35/h1-24H
• InChIKey: PNBFOYUHRSUDJT-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.65
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	0
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 6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine?

The IUPAC name of 6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine (CID 176818985) is 6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine.

What is the SMILES notation for 6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine?

The canonical SMILES for 6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccnc(-c5nc6ccccc6c6ccccc56)c4)ccn3)n2)cc1.

What is the InChIKey of 6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine?

The InChIKey is PNBFOYUHRSUDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N6/c1-3-11-25(12-4-1)36-42-37(26-13-5-2-6-14-26)44-38(43-36)34-24-28(20-22-40-34)27-19-21-39-33(23-27)35-31-17-8-7-15-29(31)30-16-9-10-18-32(30)41-35/h1-24H.

What are the key properties of 6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine?

6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine has a molecular weight of 564.65 g/mol, XLogP of 8.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-2-pyridinyl]phenanthridine is sourced from PubChem (CID 176818985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).