2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline

C41H25N7 — CID 176785327

About 2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline

2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline (PubChem CID 176785327) has the molecular formula C41H25N7 and a molecular weight of 615.70 g/mol. Its IUPAC name is 2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
• PubChem CID: 176785327
• Molecular Formula: C41H25N7
• Molecular Weight: 615.70 g/mol
• Exact Mass: 615.22
• IUPAC Name: 2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccc7c(-c8ccccn8)nc(-c8ccccn8)nc67)c5)nc4c3n2)nc1
• InChI: InChI=1S/C41H25N7/c1-4-22-42-33(13-1)34-21-19-27-17-16-26-18-20-32(45-37(26)38(27)46-34)29-10-7-9-28(25-29)30-11-8-12-31-39(30)47-41(36-15-3-6-24-44-36)48-40(31)35-14-2-5-23-43-35/h1-25H
• InChIKey: VEUVPHSQTKCEQI-UHFFFAOYSA-N
• XLogP: 9.25
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.70
LogP ≤ 5	9.25
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 2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline?

The IUPAC name of 2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline (CID 176785327) is 2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline.

What is the SMILES notation for 2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline?

The canonical SMILES for 2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccc7c(-c8ccccn8)nc(-c8ccccn8)nc67)c5)nc4c3n2)nc1.

What is the InChIKey of 2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline?

The InChIKey is VEUVPHSQTKCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N7/c1-4-22-42-33(13-1)34-21-19-27-17-16-26-18-20-32(45-37(26)38(27)46-34)29-10-7-9-28(25-29)30-11-8-12-31-39(30)47-41(36-15-3-6-24-44-36)48-40(31)35-14-2-5-23-43-35/h1-25H.

What are the key properties of 2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline?

2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline has a molecular weight of 615.70 g/mol, XLogP of 9.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 176785327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).