diiodopalladium;palladium;bis(triphenylphosphane)

C36H30I2P2Pd2 — CID 173446441

IUPACdiiodopalladium;palladium;bis(triphenylphosphane)
SMILESI[Pd]I.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2HI.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h2*1-15H;2*1H;;/q;;;;;+2/p-2
InChIKeySZTVJECDRJJPOV-UHFFFAOYSA-L
MW991.23 g/mol
LogP8.66
Rot. Bonds6

About diiodopalladium;palladium;bis(triphenylphosphane)

diiodopalladium;palladium;bis(triphenylphosphane) (PubChem CID 173446441) has the molecular formula C36H30I2P2Pd2 and a molecular weight of 991.23 g/mol. Its IUPAC name is diiodopalladium;palladium;bis(triphenylphosphane).

Molecular Properties

Compound Namediiodopalladium;palladium;bis(triphenylphosphane)
PubChem CID173446441
Molecular FormulaC36H30I2P2Pd2
Molecular Weight991.23 g/mol
Exact Mass989.80
IUPAC Namediiodopalladium;palladium;bis(triphenylphosphane)
SMILESI[Pd]I.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.2HI.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h2*1-15H;2*1H;;/q;;;;;+2/p-2
InChIKeySZTVJECDRJJPOV-UHFFFAOYSA-L
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.23
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

palladium;bis(triphenylphosphane)
CID 10122028
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735
palladium;ruthenium;triphenylphosphane
CID 174683160
methane;palladium;triphenylphosphane
CID 90407786
triphenylphosphane
CID 139056248
iodocopper;triphenylphosphane
CID 12549340
silane;triphenylphosphane
CID 161037280
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
plutonium;triphenylphosphane
CID 161300359

Frequently Asked Questions

What is the IUPAC name of diiodopalladium;palladium;bis(triphenylphosphane)?
The IUPAC name of diiodopalladium;palladium;bis(triphenylphosphane) (CID 173446441) is diiodopalladium;palladium;bis(triphenylphosphane).
What is the SMILES notation for diiodopalladium;palladium;bis(triphenylphosphane)?
The canonical SMILES for diiodopalladium;palladium;bis(triphenylphosphane) is I[Pd]I.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diiodopalladium;palladium;bis(triphenylphosphane)?
The InChIKey is SZTVJECDRJJPOV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.2HI.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h2*1-15H;2*1H;;/q;;;;;+2/p-2.
What are the key properties of diiodopalladium;palladium;bis(triphenylphosphane)?
diiodopalladium;palladium;bis(triphenylphosphane) has a molecular weight of 991.23 g/mol, XLogP of 8.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diiodopalladium;palladium;bis(triphenylphosphane) is sourced from PubChem (CID 173446441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).