10-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine

C46H32N4 — CID 89441464

About 10-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine

10-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine (PubChem CID 89441464) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 10-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 10-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine
• PubChem CID: 89441464
• Molecular Formula: C46H32N4
• Molecular Weight: 640.79 g/mol
• Exact Mass: 640.26
• IUPAC Name: 10-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine
• SMILES: C/C=C\C=C/c1ccc(-c2ccc3cc(-c4ccc5c(c4)c4ccccc4n4c(-c6ccccn6)c(-c6ccccn6)nc54)ccc3c2)cc1
• InChI: InChI=1S/C46H32N4/c1-2-3-4-11-31-16-18-32(19-17-31)33-20-21-35-29-36(23-22-34(35)28-33)37-24-25-39-40(30-37)38-12-5-6-15-43(38)50-45(42-14-8-10-27-48-42)44(49-46(39)50)41-13-7-9-26-47-41/h2-30H,1H3/b3-2-,11-4-
• InChIKey: ZNZOABGNFYIWIJ-RHSAXJQZSA-N
• XLogP: 11.84
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.79
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine?

The IUPAC name of 10-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine (CID 89441464) is 10-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine.

What is the SMILES notation for 10-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine?

The canonical SMILES for 10-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine is C/C=C\C=C/c1ccc(-c2ccc3cc(-c4ccc5c(c4)c4ccccc4n4c(-c6ccccn6)c(-c6ccccn6)nc54)ccc3c2)cc1.

What is the InChIKey of 10-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine?

The InChIKey is ZNZOABGNFYIWIJ-RHSAXJQZSA-N. The full InChI is InChI=1S/C46H32N4/c1-2-3-4-11-31-16-18-32(19-17-31)33-20-21-35-29-36(23-22-34(35)28-33)37-24-25-39-40(30-37)38-12-5-6-15-43(38)50-45(42-14-8-10-27-48-42)44(49-46(39)50)41-13-7-9-26-47-41/h2-30H,1H3/b3-2-,11-4-.

What are the key properties of 10-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine?

10-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine has a molecular weight of 640.79 g/mol, XLogP of 11.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[6-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]naphthalen-2-yl]-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 89441464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).