7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline

C37H23N5 — CID 139445668

About 7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline

7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline (PubChem CID 139445668) has the molecular formula C37H23N5 and a molecular weight of 537.63 g/mol. Its IUPAC name is 7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline.

Molecular Properties

• Compound Name: 7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline
• PubChem CID: 139445668
• Molecular Formula: C37H23N5
• Molecular Weight: 537.63 g/mol
• Exact Mass: 537.20
• IUPAC Name: 7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline
• SMILES: c1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc(-c5cccc(-c6ccccn6)n5)nc4)nc23)cc1
• InChI: InChI=1S/C37H23N5/c1-2-9-24(10-3-1)35-27-11-4-5-12-30(27)42-37-28(35)19-16-25-17-20-29(41-36(25)37)26-18-21-32(39-23-26)34-15-8-14-33(40-34)31-13-6-7-22-38-31/h1-23H
• InChIKey: OASJFBSAZZRAFS-UHFFFAOYSA-N
• XLogP: 8.79
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.63
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline?

The IUPAC name of 7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline (CID 139445668) is 7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline.

What is the SMILES notation for 7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline?

The canonical SMILES for 7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline is c1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc(-c5cccc(-c6ccccn6)n5)nc4)nc23)cc1.

What is the InChIKey of 7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline?

The InChIKey is OASJFBSAZZRAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N5/c1-2-9-24(10-3-1)35-27-11-4-5-12-30(27)42-37-28(35)19-16-25-17-20-29(41-36(25)37)26-18-21-32(39-23-26)34-15-8-14-33(40-34)31-13-6-7-22-38-31/h1-23H.

What are the key properties of 7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline?

7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline has a molecular weight of 537.63 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 139445668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).