5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline

C48H30N4 — CID 164780633

About 5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline

5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 164780633) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 164780633
• Molecular Formula: C48H30N4
• Molecular Weight: 662.80 g/mol
• Exact Mass: 662.25
• IUPAC Name: 5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc(-c8cc9cccnc9c9ncccc89)cc7)nc6c5)cc4n3)cc2)cc1
• InChI: InChI=1S/C48H30N4/c1-2-6-31(7-3-1)32-10-14-34(15-11-32)43-24-22-36-18-20-38(29-45(36)51-43)39-21-19-37-23-25-44(52-46(37)30-39)35-16-12-33(13-17-35)42-28-40-8-4-26-49-47(40)48-41(42)9-5-27-50-48/h1-30H
• InChIKey: JULFXLBZCVJKGQ-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.80
LogP ≤ 5	12.21
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-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 164780633) is 5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline is c1ccc(-c2ccc(-c3ccc4ccc(-c5ccc6ccc(-c7ccc(-c8cc9cccnc9c9ncccc89)cc7)nc6c5)cc4n3)cc2)cc1.

What is the InChIKey of 5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The InChIKey is JULFXLBZCVJKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-2-6-31(7-3-1)32-10-14-34(15-11-32)43-24-22-36-18-20-38(29-45(36)51-43)39-21-19-37-23-25-44(52-46(37)30-39)35-16-12-33(13-17-35)42-28-40-8-4-26-49-47(40)48-41(42)9-5-27-50-48/h1-30H.

What are the key properties of 5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 662.80 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 164780633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).