carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium

C62H60Cl2Cu2N2P3- — CID 159189675

IUPACcarbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium
SMILESClCCl.[CH2-]c1ccccc1.[CH3-].[CH3-].[Cu].[Cu].c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C18H15P.2C17H14NP.C7H7.CH2Cl2.2CH3.2Cu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;1-7-5-3-2-4-6-7;2-1-3;;;;/h1-15H;2*1-14H;2-6H,1H2;1H2;2*1H3;;/q;;;-1;;2*-1;;/p+2
InChIKeyXAGPOHPCAVDJII-UHFFFAOYSA-P
MW1124.10 g/mol
LogP12.77
Rot. Bonds9

About carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium

carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium (PubChem CID 159189675) has the molecular formula C62H60Cl2Cu2N2P3- and a molecular weight of 1124.10 g/mol. Its IUPAC name is carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium.

Molecular Properties

Compound Namecarbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium
PubChem CID159189675
Molecular FormulaC62H60Cl2Cu2N2P3-
Molecular Weight1124.10 g/mol
Exact Mass1121.19
IUPAC Namecarbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium
SMILESClCCl.[CH2-]c1ccccc1.[CH3-].[CH3-].[Cu].[Cu].c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C18H15P.2C17H14NP.C7H7.CH2Cl2.2CH3.2Cu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;1-7-5-3-2-4-6-7;2-1-3;;;;/h1-15H;2*1-14H;2-6H,1H2;1H2;2*1H3;;/q;;;-1;;2*-1;;/p+2
InChIKeyXAGPOHPCAVDJII-UHFFFAOYSA-P
XLogP12.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001124.10
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenyl(pyridin-2-yl)phosphane
CID 621893
chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane)
CID 11147372
dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+))
CID 135082659
bis(4-fluorophenyl)-pyridin-2-ylphosphane
CID 87213257
bis(4-methylphenyl)-pyridin-2-ylphosphane
CID 21284190
bis(4-ethenylphenyl)-pyridin-2-ylphosphane
CID 122653862
bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 11982785
bis(2-chlorophenyl)-pyridin-2-ylphosphane
CID 21284230
(6-deuterio-2-pyridinyl)-diphenylphosphane
CID 11021746
phosphanium;tris(triphenylphosphane);chloride
CID 160938283
carbanide;copper;1,8-naphthyridine;triphenylphosphanium
CID 159038461
chlorogold;(6-diphenylphosphaniumyl-2-pyridinyl)-diphenylphosphanium
CID 164670767

Frequently Asked Questions

What is the IUPAC name of carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium?
The IUPAC name of carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium (CID 159189675) is carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium.
What is the SMILES notation for carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium?
The canonical SMILES for carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium is ClCCl.[CH2-]c1ccccc1.[CH3-].[CH3-].[Cu].[Cu].c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium?
The InChIKey is XAGPOHPCAVDJII-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H15P.2C17H14NP.C7H7.CH2Cl2.2CH3.2Cu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;1-7-5-3-2-4-6-7;2-1-3;;;;/h1-15H;2*1-14H;2-6H,1H2;1H2;2*1H3;;/q;;;-1;;2*-1;;/p+2.
What are the key properties of carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium?
carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium has a molecular weight of 1124.10 g/mol, XLogP of 12.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium is sourced from PubChem (CID 159189675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).