bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium

C60H64P4Pd — CID 87455708

IUPACbis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
SMILES[Pd].c1ccc(P(CCCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C30H32P2.Pd/c2*1(15-25-31(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32(29-21-11-5-12-22-29)30-23-13-6-14-24-30;/h2*3-14,17-24H,1-2,15-16,25-26H2;
InChIKeyJALOMWXKWNMMFJ-UHFFFAOYSA-N
MW1015.49 g/mol
LogP13.62
Rot. Bonds22

About bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium

bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium (PubChem CID 87455708) has the molecular formula C60H64P4Pd and a molecular weight of 1015.49 g/mol. Its IUPAC name is bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium.

Molecular Properties

Compound Namebis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
PubChem CID87455708
Molecular FormulaC60H64P4Pd
Molecular Weight1015.49 g/mol
Exact Mass1014.30
IUPAC Namebis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
SMILES[Pd].c1ccc(P(CCCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C30H32P2.Pd/c2*1(15-25-31(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32(29-21-11-5-12-22-29)30-23-13-6-14-24-30;/h2*3-14,17-24H,1-2,15-16,25-26H2;
InChIKeyJALOMWXKWNMMFJ-UHFFFAOYSA-N
XLogP13.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.49
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dibromocobalt;6-diphenylphosphanylhexyl(diphenyl)phosphane
CID 11377369
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CID 13159123
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CID 10996904
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CID 134888828
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CID 20679688
10-diphenylphosphanyldecanoic acid
CID 71402645
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium
CID 101086427
bis(10-diphenylphosphanyldecoxy)-phenylphosphane
CID 12054176
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
14-diphenylphosphanyltetradecyl(triethyl)phosphanium chloride
CID 88731911
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Frequently Asked Questions

What is the IUPAC name of bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium?
The IUPAC name of bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium (CID 87455708) is bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium.
What is the SMILES notation for bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium?
The canonical SMILES for bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium is [Pd].c1ccc(P(CCCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium?
The InChIKey is JALOMWXKWNMMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H32P2.Pd/c2*1(15-25-31(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32(29-21-11-5-12-22-29)30-23-13-6-14-24-30;/h2*3-14,17-24H,1-2,15-16,25-26H2;.
What are the key properties of bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium?
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium has a molecular weight of 1015.49 g/mol, XLogP of 13.62, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium is sourced from PubChem (CID 87455708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).