4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane)

C84H72OP4PdS — CID 173194647

IUPAC4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane)
SMILESCCc1ccc(O)c(-c2ccsc2)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C12H12OS.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-9-3-4-12(13)11(7-9)10-5-6-14-8-10;/h4*1-15H;3-8,13H,2H2,1H3;
InChIKeyGQHATQNPKCIDAH-UHFFFAOYSA-N
MW1359.88 g/mol
LogP17.46
Rot. Bonds14

About 4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane)

4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane) (PubChem CID 173194647) has the molecular formula C84H72OP4PdS and a molecular weight of 1359.88 g/mol. Its IUPAC name is 4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane)
PubChem CID173194647
Molecular FormulaC84H72OP4PdS
Molecular Weight1359.88 g/mol
Exact Mass1358.33
IUPAC Name4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane)
SMILESCCc1ccc(O)c(-c2ccsc2)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C12H12OS.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-9-3-4-12(13)11(7-9)10-5-6-14-8-10;/h4*1-15H;3-8,13H,2H2,1H3;
InChIKeyGQHATQNPKCIDAH-UHFFFAOYSA-N
XLogP17.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001359.88
LogP ≤ 517.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of 4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane) (CID 173194647) is 4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for 4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for 4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane) is CCc1ccc(O)c(-c2ccsc2)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane)?
The InChIKey is GQHATQNPKCIDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C12H12OS.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-9-3-4-12(13)11(7-9)10-5-6-14-8-10;/h4*1-15H;3-8,13H,2H2,1H3;.
What are the key properties of 4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane)?
4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane) has a molecular weight of 1359.88 g/mol, XLogP of 17.46, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-thiophen-3-ylphenol;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 173194647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).