tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate

C54H81AuClO4P3 — CID 57357504

IUPACtris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate
SMILES[Au+].[O-][Cl+3]([O-])([O-])[O-].c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/3C18H27P.Au.ClHO4/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;2-1(3,4)5/h3*1,4-5,10-11,17-18H,2-3,6-9,12-15H2;;(H,2,3,4,5)/q;;;+1;/p-1
InChIKeyYUUIDXZUMDDYCF-UHFFFAOYSA-M
MW1119.58 g/mol
LogP11.62
Rot. Bonds9

About tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate

tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate (PubChem CID 57357504) has the molecular formula C54H81AuClO4P3 and a molecular weight of 1119.58 g/mol. Its IUPAC name is tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate.

Molecular Properties

Compound Nametris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate
PubChem CID57357504
Molecular FormulaC54H81AuClO4P3
Molecular Weight1119.58 g/mol
Exact Mass1118.47
IUPAC Nametris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate
SMILES[Au+].[O-][Cl+3]([O-])([O-])[O-].c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/3C18H27P.Au.ClHO4/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;2-1(3,4)5/h3*1,4-5,10-11,17-18H,2-3,6-9,12-15H2;;(H,2,3,4,5)/q;;;+1;/p-1
InChIKeyYUUIDXZUMDDYCF-UHFFFAOYSA-M
XLogP11.62
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.58
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 89375830
CID 89375830
zinc bis(dicyclohexyl(phenyl)phosphane)
CID 177400606
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4-dicyclohexylphosphanylbenzoic acid
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dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane
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CID 86613582
4-dicyclohexylphosphanylbenzonitrile
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carbon monoxide;chromium;(R)-cyclohexyl-methyl-phenylphosphane
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Frequently Asked Questions

What is the IUPAC name of tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate?
The IUPAC name of tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate (CID 57357504) is tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate.
What is the SMILES notation for tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate?
The canonical SMILES for tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate is [Au+].[O-][Cl+3]([O-])([O-])[O-].c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate?
The InChIKey is YUUIDXZUMDDYCF-UHFFFAOYSA-M. The full InChI is InChI=1S/3C18H27P.Au.ClHO4/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;2-1(3,4)5/h3*1,4-5,10-11,17-18H,2-3,6-9,12-15H2;;(H,2,3,4,5)/q;;;+1;/p-1.
What are the key properties of tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate?
tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate has a molecular weight of 1119.58 g/mol, XLogP of 11.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dicyclohexyl(phenyl)phosphane);gold(1+);perchlorate is sourced from PubChem (CID 57357504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).