carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane

C28H43N2PPd — CID 146156712

IUPACcarbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
SMILESCC(=C/C(C)=N/c1c(C)cccc1C)[N-]c1c(C)cccc1C.CCP(CC)CC.[CH3-].[Pd+2]
InChIInChI=1S/C21H25N2.C6H15P.CH3.Pd/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4;1-4-7(5-2)6-3;;/h7-13H,1-6H3;4-6H2,1-3H3;1H3;/q-1;;-1;+2/b18-13?,23-19+;;;
InChIKeyLGILTSMAGYHMAE-BMQUPPKUSA-N
MW545.06 g/mol
LogP9.60
Rot. Bonds7

About carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane

carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane (PubChem CID 146156712) has the molecular formula C28H43N2PPd and a molecular weight of 545.06 g/mol. Its IUPAC name is carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane.

Molecular Properties

Compound Namecarbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
PubChem CID146156712
Molecular FormulaC28H43N2PPd
Molecular Weight545.06 g/mol
Exact Mass544.22
IUPAC Namecarbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
SMILESCC(=C/C(C)=N/c1c(C)cccc1C)[N-]c1c(C)cccc1C.CCP(CC)CC.[CH3-].[Pd+2]
InChIInChI=1S/C21H25N2.C6H15P.CH3.Pd/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4;1-4-7(5-2)6-3;;/h7-13H,1-6H3;4-6H2,1-3H3;1H3;/q-1;;-1;+2/b18-13?,23-19+;;;
InChIKeyLGILTSMAGYHMAE-BMQUPPKUSA-N
XLogP9.60
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.06
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

carbanide;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane
CID 50907029
cobalt;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;toluene
CID 139119034
dizinc;benzeneselenolate;bis((2,4,6-trimethylphenyl)-[(Z)-4-(2,4,6-trimethylphenyl)iminopent-2-en-2-yl]azanide)
CID 139184213
(2,6-diethylphenyl)-[(Z)-4-(2,6-diethylphenyl)iminopent-2-en-2-yl]azanide;propan-2-ol;zinc
CID 139240491
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))
CID 139180324
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate
CID 139128645
1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine
CID 139160848
sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide
CID 139240453
tetramagnesium;tetrakis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);toluene;tetraiodide
CID 139088211
bis(4-methylphenyl)azanide;cyano-(2,6-dimethylphenyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;vanadium
CID 139114175
dicopper;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide);dihydroxide
CID 139126708
bromonickel;bis((2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)imino-1,1,1,5,5,5-hexafluoropent-2-en-2-yl]azanide)
CID 139240430

Frequently Asked Questions

What is the IUPAC name of carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane?
The IUPAC name of carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane (CID 146156712) is carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane.
What is the SMILES notation for carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane?
The canonical SMILES for carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane is CC(=C/C(C)=N/c1c(C)cccc1C)[N-]c1c(C)cccc1C.CCP(CC)CC.[CH3-].[Pd+2].
What is the InChIKey of carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane?
The InChIKey is LGILTSMAGYHMAE-BMQUPPKUSA-N. The full InChI is InChI=1S/C21H25N2.C6H15P.CH3.Pd/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4;1-4-7(5-2)6-3;;/h7-13H,1-6H3;4-6H2,1-3H3;1H3;/q-1;;-1;+2/b18-13?,23-19+;;;.
What are the key properties of carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane?
carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane has a molecular weight of 545.06 g/mol, XLogP of 9.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(2,6-dimethylphenyl)-[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphane is sourced from PubChem (CID 146156712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).