6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine

C53H34N2 — CID 89089695

About 6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine

6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 89089695) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
• PubChem CID: 89089695
• Molecular Formula: C53H34N2
• Molecular Weight: 698.87 g/mol
• Exact Mass: 698.27
• IUPAC Name: 6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
• SMILES: c1ccc(-c2ccc3nc(-c4ccc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c6ccccc56)cc4)cn3c2)cc1
• InChI: InChI=1S/C53H34N2/c1-3-15-35(16-4-1)39-31-32-49-54-48(34-55(49)33-39)36-27-29-38(30-28-36)51-42-21-9-13-25-46(42)53(47-26-14-10-22-43(47)51)52-44-23-11-7-19-40(44)50(37-17-5-2-6-18-37)41-20-8-12-24-45(41)52/h1-34H
• InChIKey: ROZLXQGUBNFSKE-UHFFFAOYSA-N
• XLogP: 14.28
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.87
LogP ≤ 5	14.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?

The IUPAC name of 6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine (CID 89089695) is 6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine.

What is the SMILES notation for 6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?

The canonical SMILES for 6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine is c1ccc(-c2ccc3nc(-c4ccc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c6ccccc56)cc4)cn3c2)cc1.

What is the InChIKey of 6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?

The InChIKey is ROZLXQGUBNFSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-3-15-35(16-4-1)39-31-32-49-54-48(34-55(49)33-39)36-27-29-38(30-28-36)51-42-21-9-13-25-46(42)53(47-26-14-10-22-43(47)51)52-44-23-11-7-19-40(44)50(37-17-5-2-6-18-37)41-20-8-12-24-45(41)52/h1-34H.

What are the key properties of 6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?

6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 698.87 g/mol, XLogP of 14.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 89089695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).