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

C43H27N7 — CID 176819163

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

6-[6-[2-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pyridinyl]-2-pyridinyl]phenanthridine (PubChem CID 176819163) has the molecular formula C43H27N7 and a molecular weight of 641.74 g/mol. Its IUPAC name is 6-[6-[2-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pyridinyl]-2-pyridinyl]phenanthridine.

Molecular Properties

• Compound Name: 6-[6-[2-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pyridinyl]-2-pyridinyl]phenanthridine
• PubChem CID: 176819163
• Molecular Formula: C43H27N7
• Molecular Weight: 641.74 g/mol
• Exact Mass: 641.23
• IUPAC Name: 6-[6-[2-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pyridinyl]-2-pyridinyl]phenanthridine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4cccc(-c5nc6ccccc6c6ccccc56)n4)ccn3)n2)cc1
• InChI: InChI=1S/C43H27N7/c1-2-10-29(11-3-1)41-48-42(30-21-19-28(20-22-30)32-12-9-24-44-27-32)50-43(49-41)39-26-31(23-25-45-39)36-17-8-18-38(46-36)40-35-15-5-4-13-33(35)34-14-6-7-16-37(34)47-40/h1-27H
• InChIKey: SEIBYPGELVCMCY-UHFFFAOYSA-N
• XLogP: 9.76
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.74
LogP ≤ 5	9.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[6-[2-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pyridinyl]-2-pyridinyl]phenanthridine?

The IUPAC name of 6-[6-[2-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pyridinyl]-2-pyridinyl]phenanthridine (CID 176819163) is 6-[6-[2-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pyridinyl]-2-pyridinyl]phenanthridine.

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

The canonical SMILES for 6-[6-[2-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pyridinyl]-2-pyridinyl]phenanthridine is c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4cccc(-c5nc6ccccc6c6ccccc56)n4)ccn3)n2)cc1.

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

The InChIKey is SEIBYPGELVCMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N7/c1-2-10-29(11-3-1)41-48-42(30-21-19-28(20-22-30)32-12-9-24-44-27-32)50-43(49-41)39-26-31(23-25-45-39)36-17-8-18-38(46-36)40-35-15-5-4-13-33(35)34-14-6-7-16-37(34)47-40/h1-27H.

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

6-[6-[2-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pyridinyl]-2-pyridinyl]phenanthridine has a molecular weight of 641.74 g/mol, XLogP of 9.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[2-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pyridinyl]-2-pyridinyl]phenanthridine is sourced from PubChem (CID 176819163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).