carbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium

C7H19Cl3NoP2- — CID 134981073

IUPACcarbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium
SMILESCP(C)CCP(C)C.Cl[No](Cl)Cl.[CH3-]
InChIInChI=1S/C6H16P2.CH3.3ClH.No/c1-7(2)5-6-8(3)4;;;;;/h5-6H2,1-4H3;1H3;3*1H;/q;-1;;;;+3/p-3
InChIKeyAPAVWGHTGZYOED-UHFFFAOYSA-K
MW530.54 g/mol
LogP4.99
Rot. Bonds3

About carbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium

carbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium (PubChem CID 134981073) has the molecular formula C7H19Cl3NoP2- and a molecular weight of 530.54 g/mol. Its IUPAC name is carbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium.

Molecular Properties

Compound Namecarbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium
PubChem CID134981073
Molecular FormulaC7H19Cl3NoP2-
Molecular Weight530.54 g/mol
Exact Mass529.10
IUPAC Namecarbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium
SMILESCP(C)CCP(C)C.Cl[No](Cl)Cl.[CH3-]
InChIInChI=1S/C6H16P2.CH3.3ClH.No/c1-7(2)5-6-8(3)4;;;;;/h5-6H2,1-4H3;1H3;3*1H;/q;-1;;;;+3/p-3
InChIKeyAPAVWGHTGZYOED-UHFFFAOYSA-K
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium?
The IUPAC name of carbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium (CID 134981073) is carbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium.
What is the SMILES notation for carbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium?
The canonical SMILES for carbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium is CP(C)CCP(C)C.Cl[No](Cl)Cl.[CH3-].
What is the InChIKey of carbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium?
The InChIKey is APAVWGHTGZYOED-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H16P2.CH3.3ClH.No/c1-7(2)5-6-8(3)4;;;;;/h5-6H2,1-4H3;1H3;3*1H;/q;-1;;;;+3/p-3.
What are the key properties of carbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium?
carbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium has a molecular weight of 530.54 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-dimethylphosphanylethyl(dimethyl)phosphane;trichloronobelium is sourced from PubChem (CID 134981073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).