bis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane)

C30H48Br2P2Pd2 — CID 54708682

IUPACbis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane)
SMILESBr[Pd+].Br[Pd+].CC(C)(C)P(Cc1[c-]cccc1)C(C)(C)C.CC(C)(C)P(Cc1[c-]cccc1)C(C)(C)C
InChIInChI=1S/2C15H24P.2BrH.2Pd/c2*1-14(2,3)16(15(4,5)6)12-13-10-8-7-9-11-13;;;;/h2*7-10H,12H2,1-6H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyHIZFNFDHUDAHHX-UHFFFAOYSA-L
MW843.31 g/mol
LogP11.82
Rot. Bonds4

About bis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane)

bis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane) (PubChem CID 54708682) has the molecular formula C30H48Br2P2Pd2 and a molecular weight of 843.31 g/mol. Its IUPAC name is bis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane).

Molecular Properties

Compound Namebis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane)
PubChem CID54708682
Molecular FormulaC30H48Br2P2Pd2
Molecular Weight843.31 g/mol
Exact Mass839.97
IUPAC Namebis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane)
SMILESBr[Pd+].Br[Pd+].CC(C)(C)P(Cc1[c-]cccc1)C(C)(C)C.CC(C)(C)P(Cc1[c-]cccc1)C(C)(C)C
InChIInChI=1S/2C15H24P.2BrH.2Pd/c2*1-14(2,3)16(15(4,5)6)12-13-10-8-7-9-11-13;;;;/h2*7-10H,12H2,1-6H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyHIZFNFDHUDAHHX-UHFFFAOYSA-L
XLogP11.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.31
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

chlororuthenium(2+);ditert-butyl-[[3-(ditert-butylphosphanylmethyl)benzene-2-id-1-yl]methyl]phosphane;methanone
CID 58194792
phenylmethylbenzene;tungsten(2+)
CID 23570247
bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine
CID 146001766
ditert-butyl-[[2-(diphenylphosphanylmethyl)phenyl]methyl]phosphane
CID 87241692
bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene
CID 146002159
CID 161008238
CID 161008238
ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
CID 122232365
acetonitrile;benzene;ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane;iridium;hexafluorophosphate
CID 139111073
ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane
CID 102468817
[2-[2,3-bis(ditert-butylphosphanylmethyl)phenyl]-6-(ditert-butylphosphanylmethyl)phenyl]methyl-ditert-butylphosphane
CID 140544690
ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylphenyl]methyl]phosphane
CID 87464602
dodecylbenzene;molybdenum
CID 174580500

Frequently Asked Questions

What is the IUPAC name of bis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane)?
The IUPAC name of bis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane) (CID 54708682) is bis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane).
What is the SMILES notation for bis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane)?
The canonical SMILES for bis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane) is Br[Pd+].Br[Pd+].CC(C)(C)P(Cc1[c-]cccc1)C(C)(C)C.CC(C)(C)P(Cc1[c-]cccc1)C(C)(C)C.
What is the InChIKey of bis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane)?
The InChIKey is HIZFNFDHUDAHHX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H24P.2BrH.2Pd/c2*1-14(2,3)16(15(4,5)6)12-13-10-8-7-9-11-13;;;;/h2*7-10H,12H2,1-6H3;2*1H;;/q2*-1;;;2*+2/p-2.
What are the key properties of bis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane)?
bis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane) has a molecular weight of 843.31 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane) is sourced from PubChem (CID 54708682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).