chlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite

C32H40AuClFNO2PS- — CID 178117071

IUPACchlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite
SMILESCN(C)c1ccccc1P(C1CCCCC1)C1CCCCC1.Cl[Au].FSOc1cccc(Oc2c[c-]ccc2)c1
InChIInChI=1S/C20H32NP.C12H8FO2S.Au.ClH/c1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;13-16-15-12-8-4-7-11(9-12)14-10-5-2-1-3-6-10;;/h9-10,15-18H,3-8,11-14H2,1-2H3;1-2,4-9H;;1H/q;-1;+1;/p-1
InChIKeyUVSSZRQARNLDFN-UHFFFAOYSA-M
MW785.14 g/mol
LogP10.40
Rot. Bonds8

About chlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite

chlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite (PubChem CID 178117071) has the molecular formula C32H40AuClFNO2PS- and a molecular weight of 785.14 g/mol. Its IUPAC name is chlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite.

Molecular Properties

Compound Namechlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite
PubChem CID178117071
Molecular FormulaC32H40AuClFNO2PS-
Molecular Weight785.14 g/mol
Exact Mass784.19
IUPAC Namechlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite
SMILESCN(C)c1ccccc1P(C1CCCCC1)C1CCCCC1.Cl[Au].FSOc1cccc(Oc2c[c-]ccc2)c1
InChIInChI=1S/C20H32NP.C12H8FO2S.Au.ClH/c1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;13-16-15-12-8-4-7-11(9-12)14-10-5-2-1-3-6-10;;/h9-10,15-18H,3-8,11-14H2,1-2H3;1-2,4-9H;;1H/q;-1;+1;/p-1
InChIKeyUVSSZRQARNLDFN-UHFFFAOYSA-M
XLogP10.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.14
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite?
The IUPAC name of chlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite (CID 178117071) is chlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite.
What is the SMILES notation for chlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite?
The canonical SMILES for chlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite is CN(C)c1ccccc1P(C1CCCCC1)C1CCCCC1.Cl[Au].FSOc1cccc(Oc2c[c-]ccc2)c1.
What is the InChIKey of chlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite?
The InChIKey is UVSSZRQARNLDFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H32NP.C12H8FO2S.Au.ClH/c1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;13-16-15-12-8-4-7-11(9-12)14-10-5-2-1-3-6-10;;/h9-10,15-18H,3-8,11-14H2,1-2H3;1-2,4-9H;;1H/q;-1;+1;/p-1.
What are the key properties of chlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite?
chlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite has a molecular weight of 785.14 g/mol, XLogP of 10.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite is sourced from PubChem (CID 178117071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).