2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine

C44H30N2 — CID 89441485

About 2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine

2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine (PubChem CID 89441485) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine
• PubChem CID: 89441485
• Molecular Formula: C44H30N2
• Molecular Weight: 586.74 g/mol
• Exact Mass: 586.24
• IUPAC Name: 2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine
• SMILES: C/C=C\c1cccc2ccc3ccc(-c4ccc5c(c4)c4ccccc4c4nc(-c6ccccc6)c(-c6ccccc6)n54)cc3c12
• InChI: InChI=1S/C44H30N2/c1-2-12-30-17-11-18-31-23-21-29-22-24-34(27-38(29)41(30)31)35-25-26-40-39(28-35)36-19-9-10-20-37(36)44-45-42(32-13-5-3-6-14-32)43(46(40)44)33-15-7-4-8-16-33/h2-28H,1H3/b12-2-
• InChIKey: RXUKZULTEBETJE-OIXVIMQBSA-N
• XLogP: 11.98
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.74
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine?

The IUPAC name of 2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine (CID 89441485) is 2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine.

What is the SMILES notation for 2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine?

The canonical SMILES for 2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine is C/C=C\c1cccc2ccc3ccc(-c4ccc5c(c4)c4ccccc4c4nc(-c6ccccc6)c(-c6ccccc6)n54)cc3c12.

What is the InChIKey of 2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine?

The InChIKey is RXUKZULTEBETJE-OIXVIMQBSA-N. The full InChI is InChI=1S/C44H30N2/c1-2-12-30-17-11-18-31-23-21-29-22-24-34(27-38(29)41(30)31)35-25-26-40-39(28-35)36-19-9-10-20-37(36)44-45-42(32-13-5-3-6-14-32)43(46(40)44)33-15-7-4-8-16-33/h2-28H,1H3/b12-2-.

What are the key properties of 2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine?

2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine has a molecular weight of 586.74 g/mol, XLogP of 11.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-diphenyl-7-[5-[(Z)-prop-1-enyl]phenanthren-3-yl]imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 89441485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).