4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline

C50H32N2 — CID 59010497

About 4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline

4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline (PubChem CID 59010497) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline
• PubChem CID: 59010497
• Molecular Formula: C50H32N2
• Molecular Weight: 660.82 g/mol
• Exact Mass: 660.26
• IUPAC Name: 4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cc(-c7ccccc7)c7ccc8ccc(-c9ccccc9)cc8c7n6)cc5)nc4c3c2)cc1
• InChI: InChI=1S/C50H32N2/c1-4-10-33(11-5-1)41-24-17-36-16-23-40-27-29-47(51-49(40)45(36)30-41)38-19-21-39(22-20-38)48-32-44(35-14-8-3-9-15-35)43-28-26-37-18-25-42(31-46(37)50(43)52-48)34-12-6-2-7-13-34/h1-32H
• InChIKey: DONGIWHQYJCZIW-UHFFFAOYSA-N
• XLogP: 13.42
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.82
LogP ≤ 5	13.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline?

The IUPAC name of 4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline (CID 59010497) is 4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline.

What is the SMILES notation for 4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline?

The canonical SMILES for 4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cc(-c7ccccc7)c7ccc8ccc(-c9ccccc9)cc8c7n6)cc5)nc4c3c2)cc1.

What is the InChIKey of 4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline?

The InChIKey is DONGIWHQYJCZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-4-10-33(11-5-1)41-24-17-36-16-23-40-27-29-47(51-49(40)45(36)30-41)38-19-21-39(22-20-38)48-32-44(35-14-8-3-9-15-35)43-28-26-37-18-25-42(31-46(37)50(43)52-48)34-12-6-2-7-13-34/h1-32H.

What are the key properties of 4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline?

4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline has a molecular weight of 660.82 g/mol, XLogP of 13.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline is sourced from PubChem (CID 59010497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).