8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine

C52H34N4 — CID 89089682

About 8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine

8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 89089682) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
• PubChem CID: 89089682
• Molecular Formula: C52H34N4
• Molecular Weight: 714.87 g/mol
• Exact Mass: 714.28
• IUPAC Name: 8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
• SMILES: c1ccc(-c2cccn3cc(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7cn8cccc(-c9ccccc9)c8n7)cc6)c6ccccc56)cc4)nc23)cc1
• InChI: InChI=1S/C52H34N4/c1-3-13-35(14-4-1)41-21-11-31-55-33-47(53-51(41)55)37-23-27-39(28-24-37)49-43-17-7-9-19-45(43)50(46-20-10-8-18-44(46)49)40-29-25-38(26-30-40)48-34-56-32-12-22-42(52(56)54-48)36-15-5-2-6-16-36/h1-34H
• InChIKey: GBNJNVWSAUCHHL-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.87
LogP ≤ 5	13.29
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 8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?

The IUPAC name of 8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine (CID 89089682) is 8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine.

What is the SMILES notation for 8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?

The canonical SMILES for 8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine is c1ccc(-c2cccn3cc(-c4ccc(-c5c6ccccc6c(-c6ccc(-c7cn8cccc(-c9ccccc9)c8n7)cc6)c6ccccc56)cc4)nc23)cc1.

What is the InChIKey of 8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?

The InChIKey is GBNJNVWSAUCHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-3-13-35(14-4-1)41-21-11-31-55-33-47(53-51(41)55)37-23-27-39(28-24-37)49-43-17-7-9-19-45(43)50(46-20-10-8-18-44(46)49)40-29-25-38(26-30-40)48-34-56-32-12-22-42(52(56)54-48)36-15-5-2-6-16-36/h1-34H.

What are the key properties of 8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?

8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 714.87 g/mol, XLogP of 13.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 89089682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).