cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+)

C36H34FeN2P2 — CID 161287754

About cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+)

cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+) (PubChem CID 161287754) has the molecular formula C36H34FeN2P2 and a molecular weight of 612.48 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+).

Molecular Properties

• Compound Name: cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+)
• PubChem CID: 161287754
• Molecular Formula: C36H34FeN2P2
• Molecular Weight: 612.48 g/mol
• Exact Mass: 612.15
• IUPAC Name: cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+)
• SMILES: NCC(N)[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe+2].c1ccc(P(c2ccccc2)c2ccc[cH-]2)cc1
• InChI: InChI=1S/C19H20N2P.C17H14P.Fe/c20-14-18(21)17-12-7-13-19(17)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h1-13,18H,14,20-21H2;1-14H;/q2*-1;+2
• InChIKey: VFYDQLUPXAVOIK-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.48
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+)?

The IUPAC name of cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+) (CID 161287754) is cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+).

What is the SMILES notation for cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+)?

The canonical SMILES for cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+) is NCC(N)[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe+2].c1ccc(P(c2ccccc2)c2ccc[cH-]2)cc1.

What is the InChIKey of cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+)?

The InChIKey is VFYDQLUPXAVOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2P.C17H14P.Fe/c20-14-18(21)17-12-7-13-19(17)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h1-13,18H,14,20-21H2;1-14H;/q2*-1;+2.

What are the key properties of cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+)?

cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+) has a molecular weight of 612.48 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethane-1,2-diamine;iron(2+) is sourced from PubChem (CID 161287754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).