2-phenyl-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline

C53H32N6 — CID 155023204

About 2-phenyl-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline

2-phenyl-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 155023204) has the molecular formula C53H32N6 and a molecular weight of 752.88 g/mol. Its IUPAC name is 2-phenyl-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-phenyl-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 155023204
• Molecular Formula: C53H32N6
• Molecular Weight: 752.88 g/mol
• Exact Mass: 752.27
• IUPAC Name: 2-phenyl-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7cc(-c8ccc9ccc(-c%10c[nH]c%11c%10ccc%10cccnc%10%11)nc9c8)ccc7n6)cc5)nc4c3n2)cc1
• InChI: InChI=1S/C53H32N6/c1-2-5-32(6-3-1)45-23-18-37-13-14-38-19-24-46(59-52(38)51(37)58-45)34-10-8-33(9-11-34)44-26-21-41-29-39(20-25-47(41)56-44)40-15-12-35-17-27-48(57-49(35)30-40)43-31-55-53-42(43)22-16-36-7-4-28-54-50(36)53/h1-31,55H
• InChIKey: ZTSHJOPIQORBQQ-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.88
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	1
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-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2-phenyl-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 155023204) is 2-phenyl-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-phenyl-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-phenyl-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7cc(-c8ccc9ccc(-c%10c[nH]c%11c%10ccc%10cccnc%10%11)nc9c8)ccc7n6)cc5)nc4c3n2)cc1.

What is the InChIKey of 2-phenyl-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The InChIKey is ZTSHJOPIQORBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N6/c1-2-5-32(6-3-1)45-23-18-37-13-14-38-19-24-46(59-52(38)51(37)58-45)34-10-8-33(9-11-34)44-26-21-41-29-39(20-25-47(41)56-44)40-15-12-35-17-27-48(57-49(35)30-40)43-31-55-53-42(43)22-16-36-7-4-28-54-50(36)53/h1-31,55H.

What are the key properties of 2-phenyl-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

2-phenyl-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 752.88 g/mol, XLogP of 13.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-9-[4-[6-[2-(1H-pyrrolo[3,2-h]quinolin-3-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 155023204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).