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

C45H29N5 — CID 146549323

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

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine (PubChem CID 146549323) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine.

Molecular Properties

• Compound Name: 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine
• PubChem CID: 146549323
• Molecular Formula: C45H29N5
• Molecular Weight: 639.76 g/mol
• Exact Mass: 639.24
• IUPAC Name: 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine
• SMILES: c1ccc(-c2nc3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cc3c3c(-c4ccccn4)cccc23)cc1
• InChI: InChI=1S/C45H29N5/c1-2-11-32(12-3-1)45-36-14-10-13-35(38-15-4-7-24-46-38)44(36)37-27-33(22-23-39(37)50-45)30-18-20-31(21-19-30)34-28-42(40-16-5-8-25-47-40)49-43(29-34)41-17-6-9-26-48-41/h1-29H
• InChIKey: ABSPKSFAFYZWBR-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 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine?

The IUPAC name of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine (CID 146549323) is 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine.

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

The canonical SMILES for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine is c1ccc(-c2nc3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cc3c3c(-c4ccccn4)cccc23)cc1.

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

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

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

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-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 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine is sourced from PubChem (CID 146549323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).