bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride

C36H56AuClP4 — CID 23641823

IUPACbis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride
SMILESCC1CCC(C)P1c1ccccc1P1C(C)CCC1C.CC1CCC(C)P1c1ccccc1P1C(C)CCC1C.[Au+].[Cl-]
InChIInChI=1S/2C18H28P2.Au.ClH/c2*1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;;/h2*5-8,13-16H,9-12H2,1-4H3;;1H/q;;+1;/p-1
InChIKeyKOLAZNXFTQHTNT-UHFFFAOYSA-M
MW845.16 g/mol
LogP7.09
Rot. Bonds4

About bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride

bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride (PubChem CID 23641823) has the molecular formula C36H56AuClP4 and a molecular weight of 845.16 g/mol. Its IUPAC name is bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride.

Molecular Properties

Compound Namebis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride
PubChem CID23641823
Molecular FormulaC36H56AuClP4
Molecular Weight845.16 g/mol
Exact Mass844.27
IUPAC Namebis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride
SMILESCC1CCC(C)P1c1ccccc1P1C(C)CCC1C.CC1CCC(C)P1c1ccccc1P1C(C)CCC1C.[Au+].[Cl-]
InChIInChI=1S/2C18H28P2.Au.ClH/c2*1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;;/h2*5-8,13-16H,9-12H2,1-4H3;;1H/q;;+1;/p-1
InChIKeyKOLAZNXFTQHTNT-UHFFFAOYSA-M
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.16
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride?
The IUPAC name of bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride (CID 23641823) is bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride.
What is the SMILES notation for bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride?
The canonical SMILES for bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride is CC1CCC(C)P1c1ccccc1P1C(C)CCC1C.CC1CCC(C)P1c1ccccc1P1C(C)CCC1C.[Au+].[Cl-].
What is the InChIKey of bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride?
The InChIKey is KOLAZNXFTQHTNT-UHFFFAOYSA-M. The full InChI is InChI=1S/2C18H28P2.Au.ClH/c2*1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;;/h2*5-8,13-16H,9-12H2,1-4H3;;1H/q;;+1;/p-1.
What are the key properties of bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride?
bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride has a molecular weight of 845.16 g/mol, XLogP of 7.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride is sourced from PubChem (CID 23641823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).