diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium)

C84H128I2P2Pd+2 — CID 153412297

IUPACdiiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium)
SMILESCC(C)(C)c1cc([PH+](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc([PH+](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.I[Pd]I
InChIInChI=1S/2C42H63P.2HI.Pd/c2*1-37(2,3)28-19-29(38(4,5)6)23-34(22-28)43(35-24-30(39(7,8)9)20-31(25-35)40(10,11)12)36-26-32(41(13,14)15)21-33(27-36)42(16,17)18;;;/h2*19-27H,1-18H3;2*1H;/q;;;;+2
InChIKeyAULSCOLNEGGXPU-UHFFFAOYSA-N
MW1560.12 g/mol
LogP23.69
Rot. Bonds6

About diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium)

diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium) (PubChem CID 153412297) has the molecular formula C84H128I2P2Pd+2 and a molecular weight of 1560.12 g/mol. Its IUPAC name is diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium).

Molecular Properties

Compound Namediiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium)
PubChem CID153412297
Molecular FormulaC84H128I2P2Pd+2
Molecular Weight1560.12 g/mol
Exact Mass1558.66
IUPAC Namediiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium)
SMILESCC(C)(C)c1cc([PH+](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc([PH+](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.I[Pd]I
InChIInChI=1S/2C42H63P.2HI.Pd/c2*1-37(2,3)28-19-29(38(4,5)6)23-34(22-28)43(35-24-30(39(7,8)9)20-31(25-35)40(10,11)12)36-26-32(41(13,14)15)21-33(27-36)42(16,17)18;;;/h2*19-27H,1-18H3;2*1H;/q;;;;+2
InChIKeyAULSCOLNEGGXPU-UHFFFAOYSA-N
XLogP23.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001560.12
LogP ≤ 523.69
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'}

Analyze diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
[2-bis(3,5-ditert-butylphenyl)phosphaniumylphenyl]-(3-tert-butyl-5-methylphenyl)-(3,5-ditert-butylphenyl)phosphanium;dichloroiron
CID 158178429
3,5-ditert-butylbenzonitrile
CID 3682565
(3,5-ditert-butylphenoxy)phosphane
CID 59664555
1,3-ditert-butyl-5-[(3,5-ditert-butylphenoxy)methoxy]benzene
CID 21044549
2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine
CID 63487662
1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene
CID 4625492
bis(3,5-ditert-butylphenyl)phosphane
CID 4191558
1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
CID 123729518
1,3-ditert-butyl-5-(3,5-ditert-butylphenyl)benzene;phosphorous acid
CID 162262845
1-tert-butyl-3,5-bis(2-methoxypropan-2-yl)benzene
CID 141239687

Frequently Asked Questions

What is the IUPAC name of diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium)?
The IUPAC name of diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium) (CID 153412297) is diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium).
What is the SMILES notation for diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium)?
The canonical SMILES for diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium) is CC(C)(C)c1cc([PH+](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc([PH+](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.I[Pd]I.
What is the InChIKey of diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium)?
The InChIKey is AULSCOLNEGGXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H63P.2HI.Pd/c2*1-37(2,3)28-19-29(38(4,5)6)23-34(22-28)43(35-24-30(39(7,8)9)20-31(25-35)40(10,11)12)36-26-32(41(13,14)15)21-33(27-36)42(16,17)18;;;/h2*19-27H,1-18H3;2*1H;/q;;;;+2.
What are the key properties of diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium)?
diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium) has a molecular weight of 1560.12 g/mol, XLogP of 23.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium) is sourced from PubChem (CID 153412297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).