2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline

C38H22N8 — CID 163962790

About 2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline

2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline (PubChem CID 163962790) has the molecular formula C38H22N8 and a molecular weight of 590.65 g/mol. Its IUPAC name is 2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline
• PubChem CID: 163962790
• Molecular Formula: C38H22N8
• Molecular Weight: 590.65 g/mol
• Exact Mass: 590.20
• IUPAC Name: 2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline
• SMILES: c1ccc(-c2cc(-c3ncc4cccnc4n3)c3ccc4c(-c5ncc6cccnc6n5)cc(-c5ccccc5)nc4c3n2)cc1
• InChI: InChI=1S/C38H22N8/c1-3-9-23(10-4-1)31-19-29(37-41-21-25-13-7-17-39-35(25)45-37)27-15-16-28-30(38-42-22-26-14-8-18-40-36(26)46-38)20-32(24-11-5-2-6-12-24)44-34(28)33(27)43-31/h1-22H
• InChIKey: SIZYQHLZQCENHS-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.65
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline?

The IUPAC name of 2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline (CID 163962790) is 2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline.

What is the SMILES notation for 2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline?

The canonical SMILES for 2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline is c1ccc(-c2cc(-c3ncc4cccnc4n3)c3ccc4c(-c5ncc6cccnc6n5)cc(-c5ccccc5)nc4c3n2)cc1.

What is the InChIKey of 2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline?

The InChIKey is SIZYQHLZQCENHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N8/c1-3-9-23(10-4-1)31-19-29(37-41-21-25-13-7-17-39-35(25)45-37)27-15-16-28-30(38-42-22-26-14-8-18-40-36(26)46-38)20-32(24-11-5-2-6-12-24)44-34(28)33(27)43-31/h1-22H.

What are the key properties of 2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline?

2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline has a molecular weight of 590.65 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,9-diphenyl-4,7-bis(pyrido[2,3-d]pyrimidin-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 163962790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).