iodopalladium(1+);methylbenzene;bis(triphenylarsane)

C43H37As2IPd — CID 12710107

IUPACiodopalladium(1+);methylbenzene;bis(triphenylarsane)
SMILESCc1cc[c-]cc1.[Pd+]I.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15As.C7H7.HI.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;/h2*1-15H;3-6H,1H3;1H;/q;;-1;;+2/p-1
InChIKeyGMMZNGZZCVOGDR-UHFFFAOYSA-M
MW936.94 g/mol
LogP7.08
Rot. Bonds6

About iodopalladium(1+);methylbenzene;bis(triphenylarsane)

iodopalladium(1+);methylbenzene;bis(triphenylarsane) (PubChem CID 12710107) has the molecular formula C43H37As2IPd and a molecular weight of 936.94 g/mol. Its IUPAC name is iodopalladium(1+);methylbenzene;bis(triphenylarsane).

Molecular Properties

Compound Nameiodopalladium(1+);methylbenzene;bis(triphenylarsane)
PubChem CID12710107
Molecular FormulaC43H37As2IPd
Molecular Weight936.94 g/mol
Exact Mass935.94
IUPAC Nameiodopalladium(1+);methylbenzene;bis(triphenylarsane)
SMILESCc1cc[c-]cc1.[Pd+]I.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15As.C7H7.HI.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;/h2*1-15H;3-6H,1H3;1H;/q;;-1;;+2/p-1
InChIKeyGMMZNGZZCVOGDR-UHFFFAOYSA-M
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.94
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene
CID 15351395
cobalt(3+);methylbenzene
CID 156753430
methylbenzene;zirconium
CID 154186584
methylbenzene;yttrium(3+)
CID 22952606
gold(1+);methylbenzene;triphenylphosphanium
CID 127264320
methylbenzene;triiodotitanium(1+)
CID 18688117
ethane;methylbenzene;yttrium
CID 158556230
methane;methylbenzene;yttrium
CID 160876865
methane;methylbenzene;yttrium
CID 158936681
palladium;bis(triphenylarsane)
CID 10919635
(4-diphenylarsanylphenyl)-diphenylarsane
CID 71350968
carbanide;dioxouranium(2+);methylbenzene
CID 163813971

Frequently Asked Questions

What is the IUPAC name of iodopalladium(1+);methylbenzene;bis(triphenylarsane)?
The IUPAC name of iodopalladium(1+);methylbenzene;bis(triphenylarsane) (CID 12710107) is iodopalladium(1+);methylbenzene;bis(triphenylarsane).
What is the SMILES notation for iodopalladium(1+);methylbenzene;bis(triphenylarsane)?
The canonical SMILES for iodopalladium(1+);methylbenzene;bis(triphenylarsane) is Cc1cc[c-]cc1.[Pd+]I.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of iodopalladium(1+);methylbenzene;bis(triphenylarsane)?
The InChIKey is GMMZNGZZCVOGDR-UHFFFAOYSA-M. The full InChI is InChI=1S/2C18H15As.C7H7.HI.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;/h2*1-15H;3-6H,1H3;1H;/q;;-1;;+2/p-1.
What are the key properties of iodopalladium(1+);methylbenzene;bis(triphenylarsane)?
iodopalladium(1+);methylbenzene;bis(triphenylarsane) has a molecular weight of 936.94 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodopalladium(1+);methylbenzene;bis(triphenylarsane) is sourced from PubChem (CID 12710107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).