3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine

C45H29N5 — CID 146549128

About 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine

3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine (PubChem CID 146549128) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine.

Molecular Properties

• Compound Name: 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine
• PubChem CID: 146549128
• Molecular Formula: C45H29N5
• Molecular Weight: 639.76 g/mol
• Exact Mass: 639.24
• IUPAC Name: 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine
• SMILES: c1ccc(-c2cccc3c(-c4cccnc4)nc4cc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)ccc4c23)cc1
• InChI: InChI=1S/C45H29N5/c1-2-10-32(11-3-1)36-13-8-14-38-44(36)37-22-21-33(26-41(37)50-45(38)34-12-9-23-46-29-34)30-17-19-31(20-18-30)35-27-42(39-15-4-6-24-47-39)49-43(28-35)40-16-5-7-25-48-40/h1-29H
• InChIKey: HXARRKLNQSPJEV-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.76
LogP ≤ 5	10.97
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 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine?

The IUPAC name of 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine (CID 146549128) is 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine.

What is the SMILES notation for 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine?

The canonical SMILES for 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine is c1ccc(-c2cccc3c(-c4cccnc4)nc4cc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)ccc4c23)cc1.

What is the InChIKey of 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine?

The InChIKey is HXARRKLNQSPJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-2-10-32(11-3-1)36-13-8-14-38-44(36)37-22-21-33(26-41(37)50-45(38)34-12-9-23-46-29-34)30-17-19-31(20-18-30)35-27-42(39-15-4-6-24-47-39)49-43(28-35)40-16-5-7-25-48-40/h1-29H.

What are the key properties of 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine?

3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine has a molecular weight of 639.76 g/mol, XLogP of 10.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine is sourced from PubChem (CID 146549128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).