10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine

C52H36N2 — CID 89441465

About 10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine

10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine (PubChem CID 89441465) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine
• PubChem CID: 89441465
• Molecular Formula: C52H36N2
• Molecular Weight: 688.87 g/mol
• Exact Mass: 688.29
• IUPAC Name: 10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine
• SMILES: C/C=C\C=C/c1cc(-c2ccc3c(c2)c2ccccc2n2c(-c4ccccc4)c(-c4ccccc4)nc32)c2ccccc2c1-c1ccc2ccccc2c1
• InChI: InChI=1S/C52H36N2/c1-2-3-6-23-40-34-46(42-24-13-14-26-44(42)49(40)41-29-28-35-17-11-12-22-38(35)32-41)39-30-31-45-47(33-39)43-25-15-16-27-48(43)54-51(37-20-9-5-10-21-37)50(53-52(45)54)36-18-7-4-8-19-36/h2-34H,1H3/b3-2-,23-6-
• InChIKey: UMPZZIARSYGCMA-VJEPRTIASA-N
• XLogP: 14.20
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.87
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine?

The IUPAC name of 10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine (CID 89441465) is 10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine.

What is the SMILES notation for 10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine?

The canonical SMILES for 10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine is C/C=C\C=C/c1cc(-c2ccc3c(c2)c2ccccc2n2c(-c4ccccc4)c(-c4ccccc4)nc32)c2ccccc2c1-c1ccc2ccccc2c1.

What is the InChIKey of 10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine?

The InChIKey is UMPZZIARSYGCMA-VJEPRTIASA-N. The full InChI is InChI=1S/C52H36N2/c1-2-3-6-23-40-34-46(42-24-13-14-26-44(42)49(40)41-29-28-35-17-11-12-22-38(35)32-41)39-30-31-45-47(33-39)43-25-15-16-27-48(43)54-51(37-20-9-5-10-21-37)50(53-52(45)54)36-18-7-4-8-19-36/h2-34H,1H3/b3-2-,23-6-.

What are the key properties of 10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine?

10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine has a molecular weight of 688.87 g/mol, XLogP of 14.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-naphthalen-2-yl-3-[(1Z,3Z)-penta-1,3-dienyl]naphthalen-1-yl]-2,3-diphenylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 89441465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).