dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine

C36H44AuN2O2P+ — CID 164924810

IUPACdicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine
SMILESCOc1cccc(OC)c1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.[Au].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C26H35O2P.C10H8N2.Au/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h9-11,16-21H,3-8,12-15H2,1-2H3;1-8H;/p+1
InChIKeyRHIKATZVVSAMFJ-UHFFFAOYSA-O
MW764.70 g/mol
LogP9.02
Rot. Bonds7

About dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine

dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine (PubChem CID 164924810) has the molecular formula C36H44AuN2O2P+ and a molecular weight of 764.70 g/mol. Its IUPAC name is dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namedicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine
PubChem CID164924810
Molecular FormulaC36H44AuN2O2P+
Molecular Weight764.70 g/mol
Exact Mass764.28
IUPAC Namedicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine
SMILESCOc1cccc(OC)c1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.[Au].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C26H35O2P.C10H8N2.Au/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h9-11,16-21H,3-8,12-15H2,1-2H3;1-8H;/p+1
InChIKeyRHIKATZVVSAMFJ-UHFFFAOYSA-O
XLogP9.02
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.70
LogP ≤ 59.02
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

CID 139044455
CID 139044455
CID 177651878
CID 177651878
CID 23757815
CID 23757815
CID 60083047
CID 60083047
CID 101416106
CID 101416106
CID 132565557
CID 132565557
CID 134838315
CID 134838315
CID 139041543
CID 139041543
CID 139177740
CID 139177740
CID 168302758
CID 168302758
CID 168339048
CID 168339048
CID 168339049
CID 168339049

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine?
The IUPAC name of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine (CID 164924810) is dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine.
What is the SMILES notation for dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine?
The canonical SMILES for dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine is COc1cccc(OC)c1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.[Au].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine?
The InChIKey is RHIKATZVVSAMFJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H35O2P.C10H8N2.Au/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h9-11,16-21H,3-8,12-15H2,1-2H3;1-8H;/p+1.
What are the key properties of dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine?
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine has a molecular weight of 764.70 g/mol, XLogP of 9.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphanium;gold;2-pyridin-2-ylpyridine is sourced from PubChem (CID 164924810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).