6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine

C52H36N4 — CID 123335099

About 6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine

6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 123335099) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is 6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
• PubChem CID: 123335099
• Molecular Formula: C52H36N4
• Molecular Weight: 716.89 g/mol
• Exact Mass: 716.29
• IUPAC Name: 6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
• SMILES: C1=CC2N=C(c3ccc(-c4c5ccccc5c(-c5ccc(-c6cn7cc(-c8ccccc8)ccc7n6)cc5)c5ccccc45)cc3)CN2C=C1c1ccccc1
• InChI: InChI=1S/C52H36N4/c1-3-11-35(12-4-1)41-27-29-49-53-47(33-55(49)31-41)37-19-23-39(24-20-37)51-43-15-7-9-17-45(43)52(46-18-10-8-16-44(46)51)40-25-21-38(22-26-40)48-34-56-32-42(28-30-50(56)54-48)36-13-5-2-6-14-36/h1-33,50H,34H2
• InChIKey: QTLFNOQZZXFKKO-UHFFFAOYSA-N
• XLogP: 12.35
• TPSA: 32.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.89
LogP ≤ 5	12.35
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 6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?

The IUPAC name of 6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine (CID 123335099) is 6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine.

What is the SMILES notation for 6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?

The canonical SMILES for 6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine is C1=CC2N=C(c3ccc(-c4c5ccccc5c(-c5ccc(-c6cn7cc(-c8ccccc8)ccc7n6)cc5)c5ccccc45)cc3)CN2C=C1c1ccccc1.

What is the InChIKey of 6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?

The InChIKey is QTLFNOQZZXFKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4/c1-3-11-35(12-4-1)41-27-29-49-53-47(33-55(49)31-41)37-19-23-39(24-20-37)51-43-15-7-9-17-45(43)52(46-18-10-8-16-44(46)51)40-25-21-38(22-26-40)48-34-56-32-42(28-30-50(56)54-48)36-13-5-2-6-14-36/h1-33,50H,34H2.

What are the key properties of 6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine?

6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 716.89 g/mol, XLogP of 12.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 123335099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).