carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+)

C29H35NP2Pd+2 — CID 134971058

IUPACcarbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+)
SMILESCN(C[PH+](c1ccccc1)c1ccccc1)C[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Pd+2]
InChIInChI=1S/C27H27NP2.2CH3.Pd/c1-28(22-29(24-14-6-2-7-15-24)25-16-8-3-9-17-25)23-30(26-18-10-4-11-19-26)27-20-12-5-13-21-27;;;/h2-21H,22-23H2,1H3;2*1H3;/q;2*-1;+2/p+2
InChIKeyIWDRRMVLAJLJOG-UHFFFAOYSA-P
MW565.97 g/mol
LogP5.46
Rot. Bonds8

About carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+)

carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+) (PubChem CID 134971058) has the molecular formula C29H35NP2Pd+2 and a molecular weight of 565.97 g/mol. Its IUPAC name is carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+).

Molecular Properties

Compound Namecarbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+)
PubChem CID134971058
Molecular FormulaC29H35NP2Pd+2
Molecular Weight565.97 g/mol
Exact Mass565.13
IUPAC Namecarbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+)
SMILESCN(C[PH+](c1ccccc1)c1ccccc1)C[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Pd+2]
InChIInChI=1S/C27H27NP2.2CH3.Pd/c1-28(22-29(24-14-6-2-7-15-24)25-16-8-3-9-17-25)23-30(26-18-10-4-11-19-26)27-20-12-5-13-21-27;;;/h2-21H,22-23H2,1H3;2*1H3;/q;2*-1;+2/p+2
InChIKeyIWDRRMVLAJLJOG-UHFFFAOYSA-P
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.97
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(dimethylamino)ethyl-diphenylphosphanium);palladium(2+)
CID 6393632
carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+)
CID 162398575
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
CID 6397995
CID 6397995
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
tetrakis(diethyl(phenyl)phosphanium);platinum
CID 88796419
carbanide;nickel;triphenylphosphanium
CID 87436309
bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+)
CID 6390174
N,N-dimethyl-1-phenylmethanamine;N-ethyl-N-methylethanamine
CID 154948707
[3-diphenylphosphaniumyl-2-(diphenylphosphaniumylmethyl)-2-methylpropyl]-diphenylphosphanium;nickel;sulfanide
CID 6398064

Frequently Asked Questions

What is the IUPAC name of carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+)?
The IUPAC name of carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+) (CID 134971058) is carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+).
What is the SMILES notation for carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+)?
The canonical SMILES for carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+) is CN(C[PH+](c1ccccc1)c1ccccc1)C[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Pd+2].
What is the InChIKey of carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+)?
The InChIKey is IWDRRMVLAJLJOG-UHFFFAOYSA-P. The full InChI is InChI=1S/C27H27NP2.2CH3.Pd/c1-28(22-29(24-14-6-2-7-15-24)25-16-8-3-9-17-25)23-30(26-18-10-4-11-19-26)27-20-12-5-13-21-27;;;/h2-21H,22-23H2,1H3;2*1H3;/q;2*-1;+2/p+2.
What are the key properties of carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+)?
carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+) has a molecular weight of 565.97 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+) is sourced from PubChem (CID 134971058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).