2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline

C51H32N4 — CID 146581227

About 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline

2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline (PubChem CID 146581227) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline.

Molecular Properties

• Compound Name: 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline
• PubChem CID: 146581227
• Molecular Formula: C51H32N4
• Molecular Weight: 700.85 g/mol
• Exact Mass: 700.26
• IUPAC Name: 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline
• SMILES: c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)nc3c4ccccc4nc(-c4ccccn4)c32)cc1
• InChI: InChI=1S/C51H32N4/c1-2-17-36(18-3-1)55-50-48(43-24-10-11-26-44(43)53-49(50)45-27-12-13-32-52-45)54-51(55)35-30-28-34(29-31-35)46-39-20-6-8-22-41(39)47(42-23-9-7-21-40(42)46)38-25-14-16-33-15-4-5-19-37(33)38/h1-32H
• InChIKey: SROJQJMXZPSWHD-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.85
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline?

The IUPAC name of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline (CID 146581227) is 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline.

What is the SMILES notation for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline?

The canonical SMILES for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline is c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)nc3c4ccccc4nc(-c4ccccn4)c32)cc1.

What is the InChIKey of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline?

The InChIKey is SROJQJMXZPSWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-2-17-36(18-3-1)55-50-48(43-24-10-11-26-44(43)53-49(50)45-27-12-13-32-52-45)54-51(55)35-30-28-34(29-31-35)46-39-20-6-8-22-41(39)47(42-23-9-7-21-40(42)46)38-25-14-16-33-15-4-5-19-37(33)38/h1-32H.

What are the key properties of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline?

2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline has a molecular weight of 700.85 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-4-pyridin-2-ylimidazo[4,5-c]quinoline is sourced from PubChem (CID 146581227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).