6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline

C39H25N3 — CID 152916568

About 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline

6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline (PubChem CID 152916568) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline
• PubChem CID: 152916568
• Molecular Formula: C39H25N3
• Molecular Weight: 535.65 g/mol
• Exact Mass: 535.20
• IUPAC Name: 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc6cccnc6c6ccccc56)cc4)cc3)nc3ccccc23)cc1
• InChI: InChI=1S/C39H25N3/c1-2-9-29(10-3-1)38-34-14-6-7-15-36(34)41-39(42-38)30-22-18-27(19-23-30)26-16-20-28(21-17-26)35-25-31-11-8-24-40-37(31)33-13-5-4-12-32(33)35/h1-25H
• InChIKey: UIGAJSQDPVADGV-UHFFFAOYSA-N
• XLogP: 10.00
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.65
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline?

The IUPAC name of 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline (CID 152916568) is 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline.

What is the SMILES notation for 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline?

The canonical SMILES for 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc6cccnc6c6ccccc56)cc4)cc3)nc3ccccc23)cc1.

What is the InChIKey of 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline?

The InChIKey is UIGAJSQDPVADGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-2-9-29(10-3-1)38-34-14-6-7-15-36(34)41-39(42-38)30-22-18-27(19-23-30)26-16-20-28(21-17-26)35-25-31-11-8-24-40-37(31)33-13-5-4-12-32(33)35/h1-25H.

What are the key properties of 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline?

6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline has a molecular weight of 535.65 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline is sourced from PubChem (CID 152916568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).