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

C60H42N4 — CID 118438420

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

2-[4-[10-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-6-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine (PubChem CID 118438420) has the molecular formula C60H42N4 and a molecular weight of 819.02 g/mol. Its IUPAC name is 2-[4-[10-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-6-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 2-[4-[10-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-6-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine
• PubChem CID: 118438420
• Molecular Formula: C60H42N4
• Molecular Weight: 819.02 g/mol
• Exact Mass: 818.34
• IUPAC Name: 2-[4-[10-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-6-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine
• SMILES: C1=CC2NC(c3ccc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccc(C7=CN8C=C(c9ccccc9)C=CC8N7)cc6)c6ccccc56)c5ccccc45)cc3)=CN2C=C1
• InChI: InChI=1S/C60H42N4/c1-2-14-39(15-3-1)44-33-34-56-62-54(38-64(56)36-44)41-27-31-43(32-28-41)58-47-18-6-10-22-51(47)60(52-23-11-7-19-48(52)58)59-49-20-8-4-16-45(49)57(46-17-5-9-21-50(46)59)42-29-25-40(26-30-42)53-37-63-35-13-12-24-55(63)61-53/h1-38,55-56,61-62H
• InChIKey: WSJLKNUNCLWKLF-UHFFFAOYSA-N
• XLogP: 14.05
• TPSA: 30.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.02
LogP ≤ 5	14.05
H-Bond Donors ≤ 5	2
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-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-6-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine?

The IUPAC name of 2-[4-[10-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-6-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine (CID 118438420) is 2-[4-[10-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-6-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine.

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

The canonical SMILES for 2-[4-[10-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-6-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine is C1=CC2NC(c3ccc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccc(C7=CN8C=C(c9ccccc9)C=CC8N7)cc6)c6ccccc56)c5ccccc45)cc3)=CN2C=C1.

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

The InChIKey is WSJLKNUNCLWKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4/c1-2-14-39(15-3-1)44-33-34-56-62-54(38-64(56)36-44)41-27-31-43(32-28-41)58-47-18-6-10-22-51(47)60(52-23-11-7-19-48(52)58)59-49-20-8-4-16-45(49)57(46-17-5-9-21-50(46)59)42-29-25-40(26-30-42)53-37-63-35-13-12-24-55(63)61-53/h1-38,55-56,61-62H.

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

2-[4-[10-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-6-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine has a molecular weight of 819.02 g/mol, XLogP of 14.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[10-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-6-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 118438420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).