5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline

C34H22N4 — CID 148588386

About 5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline

5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline (PubChem CID 148588386) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline.

Molecular Properties

• Compound Name: 5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline
• PubChem CID: 148588386
• Molecular Formula: C34H22N4
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.18
• IUPAC Name: 5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline
• SMILES: c1ccc(-c2cccc(-c3ncc4c(n3)c(-c3ccccc3)c(-c3ccccc3)c3ncncc34)c2)cc1
• InChI: InChI=1S/C34H22N4/c1-4-11-23(12-5-1)26-17-10-18-27(19-26)34-36-21-29-28-20-35-22-37-32(28)30(24-13-6-2-7-14-24)31(33(29)38-34)25-15-8-3-9-16-25/h1-22H
• InChIKey: NADSQPMCJLAMHC-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline?

The IUPAC name of 5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline (CID 148588386) is 5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline.

What is the SMILES notation for 5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline?

The canonical SMILES for 5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline is c1ccc(-c2cccc(-c3ncc4c(n3)c(-c3ccccc3)c(-c3ccccc3)c3ncncc34)c2)cc1.

What is the InChIKey of 5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline?

The InChIKey is NADSQPMCJLAMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-4-11-23(12-5-1)26-17-10-18-27(19-26)34-36-21-29-28-20-35-22-37-32(28)30(24-13-6-2-7-14-24)31(33(29)38-34)25-15-8-3-9-16-25/h1-22H.

What are the key properties of 5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline?

5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline has a molecular weight of 486.58 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-diphenyl-3-(3-phenylphenyl)pyrimido[5,4-f]quinazoline is sourced from PubChem (CID 148588386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).