2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene

C33H31IP2Pd — CID 15351395

IUPAC2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene
SMILESCc1cc[c-]cc1.[Pd+]I.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C7H7.HI.Pd/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-7-5-3-2-4-6-7;;/h1-20H,21-22H2;3-6H,1H3;1H;/q;-1;;+2/p-1
InChIKeyUQTFEVXXCUKVTA-UHFFFAOYSA-M
MW722.88 g/mol
LogP7.93
Rot. Bonds7

About 2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene

2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene (PubChem CID 15351395) has the molecular formula C33H31IP2Pd and a molecular weight of 722.88 g/mol. Its IUPAC name is 2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene.

Molecular Properties

Compound Name2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene
PubChem CID15351395
Molecular FormulaC33H31IP2Pd
Molecular Weight722.88 g/mol
Exact Mass722.00
IUPAC Name2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene
SMILESCc1cc[c-]cc1.[Pd+]I.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C7H7.HI.Pd/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-7-5-3-2-4-6-7;;/h1-20H,21-22H2;3-6H,1H3;1H;/q;-1;;+2/p-1
InChIKeyUQTFEVXXCUKVTA-UHFFFAOYSA-M
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.88
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

iodopalladium(1+);methylbenzene;bis(triphenylarsane)
CID 12710107
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(acetonitrile);bis(copper(1+));bis(2-diphenylphosphanylethyl(diphenyl)phosphane);perchlorate
CID 10441227
pentakis(acetonitrile);bis(copper(1+));2-diphenylphosphanylethyl(diphenyl)phosphane;perchlorate
CID 10395690
bis(acetonitrile);bis(copper(1+));tris(2-diphenylphosphanylethyl(diphenyl)phosphane);diperchlorate
CID 11982236
bis(ethyl(diphenyl)phosphane);methylbenzene;palladium;(E)-1-phenylprop-1-en-1-ol
CID 134933334
bis(ethyl(diphenyl)phosphane);methylbenzene;1-(4-methylphenyl)ethenol;palladium
CID 134933333
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
CID 10930139
CID 10930139
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
benzene;2-diphenylphosphanylethyl(diphenyl)phosphane;palladium(2+);2-phenylethynethiolate
CID 134927789

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene?
The IUPAC name of 2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene (CID 15351395) is 2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene.
What is the SMILES notation for 2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene?
The canonical SMILES for 2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene is Cc1cc[c-]cc1.[Pd+]I.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene?
The InChIKey is UQTFEVXXCUKVTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H24P2.C7H7.HI.Pd/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-7-5-3-2-4-6-7;;/h1-20H,21-22H2;3-6H,1H3;1H;/q;-1;;+2/p-1.
What are the key properties of 2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene?
2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene has a molecular weight of 722.88 g/mol, XLogP of 7.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene is sourced from PubChem (CID 15351395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).