chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline

C33H40ClN2PPd — CID 139241603

IUPACchloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NP(c1ccccc1)c1ccccc1.CN(C)Cc1[c-]cccc1.Cl[Pd+]
InChIInChI=1S/C24H28NP.C9H12N.ClH.Pd/c1-18(2)22-16-11-17-23(19(3)4)24(22)25-26(20-12-7-5-8-13-20)21-14-9-6-10-15-21;1-10(2)8-9-6-4-3-5-7-9;;/h5-19,25H,1-4H3;3-6H,8H2,1-2H3;1H;/q;-1;;+2/p-1
InChIKeyJQSSGUFTZQOIMZ-UHFFFAOYSA-M
MW637.54 g/mol
LogP8.63
Rot. Bonds8

About chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline

chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline (PubChem CID 139241603) has the molecular formula C33H40ClN2PPd and a molecular weight of 637.54 g/mol. Its IUPAC name is chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound Namechloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline
PubChem CID139241603
Molecular FormulaC33H40ClN2PPd
Molecular Weight637.54 g/mol
Exact Mass636.17
IUPAC Namechloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NP(c1ccccc1)c1ccccc1.CN(C)Cc1[c-]cccc1.Cl[Pd+]
InChIInChI=1S/C24H28NP.C9H12N.ClH.Pd/c1-18(2)22-16-11-17-23(19(3)4)24(22)25-26(20-12-7-5-8-13-20)21-14-9-6-10-15-21;1-10(2)8-9-6-4-3-5-7-9;;/h5-19,25H,1-4H3;3-6H,8H2,1-2H3;1H;/q;-1;;+2/p-1
InChIKeyJQSSGUFTZQOIMZ-UHFFFAOYSA-M
XLogP8.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.54
LogP ≤ 58.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate
CID 6397520
acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium
CID 59987071
lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine
CID 15822463
phenylmethylbenzene;tungsten(2+)
CID 23570247
1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine
CID 18441404
bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
CID 54713754
bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride
CID 5257018
N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
CID 102170611
bis[[2,6-di(propan-2-yl)anilino]-diphenyl-λ5-phosphanylidene]azanium
CID 139185972
N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline
CID 102155026
N-benzhydryl-2,6-di(propan-2-yl)aniline
CID 100979408
N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide
CID 11223159

Frequently Asked Questions

What is the IUPAC name of chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline?
The IUPAC name of chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline (CID 139241603) is chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline?
The canonical SMILES for chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NP(c1ccccc1)c1ccccc1.CN(C)Cc1[c-]cccc1.Cl[Pd+].
What is the InChIKey of chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline?
The InChIKey is JQSSGUFTZQOIMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H28NP.C9H12N.ClH.Pd/c1-18(2)22-16-11-17-23(19(3)4)24(22)25-26(20-12-7-5-8-13-20)21-14-9-6-10-15-21;1-10(2)8-9-6-4-3-5-7-9;;/h5-19,25H,1-4H3;3-6H,8H2,1-2H3;1H;/q;-1;;+2/p-1.
What are the key properties of chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline?
chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline has a molecular weight of 637.54 g/mol, XLogP of 8.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 139241603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).