2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline

C40H25N5 — CID 156577559

About 2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline

2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline (PubChem CID 156577559) has the molecular formula C40H25N5 and a molecular weight of 575.68 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline.

Molecular Properties

• Compound Name: 2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline
• PubChem CID: 156577559
• Molecular Formula: C40H25N5
• Molecular Weight: 575.68 g/mol
• Exact Mass: 575.21
• IUPAC Name: 2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3ccc3ccc(-n5c6ccccc6c6cccnc65)nc34)c2)cc1
• InChI: InChI=1S/C40H25N5/c1-3-11-26(12-4-1)29-15-9-16-30(25-29)36-33-22-20-27-21-23-35(42-37(27)38(33)44-39(43-36)28-13-5-2-6-14-28)45-34-19-8-7-17-31(34)32-18-10-24-41-40(32)45/h1-25H
• InChIKey: AJTGLCCZJZJOHB-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.68
LogP ≤ 5	9.67
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-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline?

The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline (CID 156577559) is 2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline.

What is the SMILES notation for 2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline?

The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3ccc3ccc(-n5c6ccccc6c6cccnc65)nc34)c2)cc1.

What is the InChIKey of 2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline?

The InChIKey is AJTGLCCZJZJOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5/c1-3-11-26(12-4-1)29-15-9-16-30(25-29)36-33-22-20-27-21-23-35(42-37(27)38(33)44-39(43-36)28-13-5-2-6-14-28)45-34-19-8-7-17-31(34)32-18-10-24-41-40(32)45/h1-25H.

What are the key properties of 2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline?

2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline has a molecular weight of 575.68 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline is sourced from PubChem (CID 156577559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).