2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline

C33H21N5 — CID 174201455

About 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline (PubChem CID 174201455) has the molecular formula C33H21N5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline
• PubChem CID: 174201455
• Molecular Formula: C33H21N5
• Molecular Weight: 487.57 g/mol
• Exact Mass: 487.18
• IUPAC Name: 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C33H21N5/c1-3-17-34-28(7-1)30-20-26(21-31(37-30)29-8-2-4-18-35-29)22-9-11-23(12-10-22)27-16-15-25-14-13-24-6-5-19-36-32(24)33(25)38-27/h1-21H
• InChIKey: XDHPCVRYRDDSQN-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.57
LogP ≤ 5	7.64
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]-1,10-phenanthroline?

The IUPAC name of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline (CID 174201455) is 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline is c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc(-c3ccccn3)n2)nc1.

What is the InChIKey of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline?

The InChIKey is XDHPCVRYRDDSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5/c1-3-17-34-28(7-1)30-20-26(21-31(37-30)29-8-2-4-18-35-29)22-9-11-23(12-10-22)27-16-15-25-14-13-24-6-5-19-36-32(24)33(25)38-27/h1-21H.

What are the key properties of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline?

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline has a molecular weight of 487.57 g/mol, XLogP of 7.64, 4 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]-1,10-phenanthroline is sourced from PubChem (CID 174201455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).