carbanide;bis(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+)

C42H91Fe2N3O2PV2W- — CID 162282835

About carbanide;bis(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+)

carbanide;bis(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+) (PubChem CID 162282835) has the molecular formula C42H91Fe2N3O2PV2W- and a molecular weight of 1098.60 g/mol. Its IUPAC name is carbanide;bis(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+).

Molecular Properties

• Compound Name: carbanide;bis(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+)
• PubChem CID: 162282835
• Molecular Formula: C42H91Fe2N3O2PV2W-
• Molecular Weight: 1098.60 g/mol
• Exact Mass: 1098.39
• IUPAC Name: carbanide;bis(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+)
• SMILES: C1CCCC1.C1CCCC1.CC.CC.[CH-]1CCCC1.[CH-]1CCCC1.[CH2-]CCOP(OCCC#N)N(C(C)C)C(C)C.[CH2-]C[NH-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[V+2].[V].[W+2]
• InChI: InChI=1S/C12H24N2O2P.2C5H10.2C5H9.C2H5N.2C2H6.4CH3.2Fe.2V.W/c1-6-9-15-17(16-10-7-8-13)14(11(2)3)12(4)5;4*1-2-4-5-3-1;1-2-3;2*1-2;;;;;;;;;/h11-12H,1,6-7,9-10H2,2-5H3;2*1-5H2;2*1H,2-5H2;3H,1-2H2;2*1-2H3;4*1H3;;;;;/q-1;;;2*-1;-2;;;4*-1;2*+2;;2*+2
• InChIKey: WHGWVISRXKZJID-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 69.29 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1098.60
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+)?

The IUPAC name of carbanide;bis(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+) (CID 162282835) is carbanide;bis(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+).

What is the SMILES notation for carbanide;bis(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+)?

The canonical SMILES for carbanide;bis(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+) is C1CCCC1.C1CCCC1.CC.CC.[CH-]1CCCC1.[CH-]1CCCC1.[CH2-]CCOP(OCCC#N)N(C(C)C)C(C)C.[CH2-]C[NH-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[V+2].[V].[W+2].

What is the InChIKey of carbanide;bis(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+)?

The InChIKey is WHGWVISRXKZJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2P.2C5H10.2C5H9.C2H5N.2C2H6.4CH3.2Fe.2V.W/c1-6-9-15-17(16-10-7-8-13)14(11(2)3)12(4)5;4*1-2-4-5-3-1;1-2-3;2*1-2;;;;;;;;;/h11-12H,1,6-7,9-10H2,2-5H3;2*1-5H2;2*1H,2-5H2;3H,1-2H2;2*1-2H3;4*1H3;;;;;/q-1;;;2*-1;-2;;;4*-1;2*+2;;2*+2.

What are the key properties of carbanide;bis(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+)?

carbanide;bis(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+) has a molecular weight of 1098.60 g/mol, XLogP of 15.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;bis(cyclopentane);bis(cyclopentane);3-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxypropanenitrile;ethane;ethylazanide;bis(iron(2+));tungsten(2+);vanadium;vanadium(2+) is sourced from PubChem (CID 162282835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).