carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)

C54H66FeN2P2 — CID 137319737

About carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)

carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+) (PubChem CID 137319737) has the molecular formula C54H66FeN2P2 and a molecular weight of 860.93 g/mol. Its IUPAC name is carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+).

Molecular Properties

• Compound Name: carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)
• PubChem CID: 137319737
• Molecular Formula: C54H66FeN2P2
• Molecular Weight: 860.93 g/mol
• Exact Mass: 860.41
• IUPAC Name: carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)
• SMILES: CN(C)[C@@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.CN(C)[C@@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Fe+2]
• InChI: InChI=1S/2C26H30NP.2CH3.Fe/c2*1-27(2)26(21-13-6-3-7-14-21)24-19-12-20-25(24)28(22-15-8-4-9-16-22)23-17-10-5-11-18-23;;;/h2*3-11,13-18,24-26H,12,19-20H2,1-2H3;2*1H3;/q;;2*-1;+2/t2*24?,25?,26-;;;/m00.../s1
• InChIKey: LSMDJGUVQOMULO-CKNDVDLTSA-N
• XLogP: 12.08
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.93
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	0
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 carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)?

The IUPAC name of carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+) (CID 137319737) is carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+).

What is the SMILES notation for carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)?

The canonical SMILES for carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+) is CN(C)[C@@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.CN(C)[C@@H](c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Fe+2].

What is the InChIKey of carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)?

The InChIKey is LSMDJGUVQOMULO-CKNDVDLTSA-N. The full InChI is InChI=1S/2C26H30NP.2CH3.Fe/c2*1-27(2)26(21-13-6-3-7-14-21)24-19-12-20-25(24)28(22-15-8-4-9-16-22)23-17-10-5-11-18-23;;;/h2*3-11,13-18,24-26H,12,19-20H2,1-2H3;2*1H3;/q;;2*-1;+2/t2*24?,25?,26-;;;/m00.../s1.

What are the key properties of carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)?

carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+) has a molecular weight of 860.93 g/mol, XLogP of 12.08, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+) is sourced from PubChem (CID 137319737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).