bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold

C30H42AuClNOP — CID 51040147

IUPACbis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold
SMILESCl[Au].c1ccc(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c(N2CCOCC2)c1
InChIInChI=1S/C30H42NOP.Au.ClH/c1-2-4-28(27(3-1)31-5-7-32-8-6-31)33(29-15-21-9-22(16-29)11-23(10-21)17-29)30-18-24-12-25(19-30)14-26(13-24)20-30;;/h1-4,21-26H,5-20H2;;1H/q;+1;/p-1
InChIKeyIOHKOGDVLVOVCK-UHFFFAOYSA-M
MW696.07 g/mol
LogP7.26
Rot. Bonds4

About bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold

bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold (PubChem CID 51040147) has the molecular formula C30H42AuClNOP and a molecular weight of 696.07 g/mol. Its IUPAC name is bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold.

Molecular Properties

Compound Namebis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold
PubChem CID51040147
Molecular FormulaC30H42AuClNOP
Molecular Weight696.07 g/mol
Exact Mass695.24
IUPAC Namebis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold
SMILESCl[Au].c1ccc(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c(N2CCOCC2)c1
InChIInChI=1S/C30H42NOP.Au.ClH/c1-2-4-28(27(3-1)31-5-7-32-8-6-31)33(29-15-21-9-22(16-29)11-23(10-21)17-29)30-18-24-12-25(19-30)14-26(13-24)20-30;;/h1-4,21-26H,5-20H2;;1H/q;+1;/p-1
InChIKeyIOHKOGDVLVOVCK-UHFFFAOYSA-M
XLogP7.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.07
LogP ≤ 57.26
H-Bond Donors ≤ 50
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 bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold?
The IUPAC name of bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold (CID 51040147) is bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold.
What is the SMILES notation for bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold?
The canonical SMILES for bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold is Cl[Au].c1ccc(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c(N2CCOCC2)c1.
What is the InChIKey of bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold?
The InChIKey is IOHKOGDVLVOVCK-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H42NOP.Au.ClH/c1-2-4-28(27(3-1)31-5-7-32-8-6-31)33(29-15-21-9-22(16-29)11-23(10-21)17-29)30-18-24-12-25(19-30)14-26(13-24)20-30;;/h1-4,21-26H,5-20H2;;1H/q;+1;/p-1.
What are the key properties of bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold?
bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold has a molecular weight of 696.07 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane;chlorogold is sourced from PubChem (CID 51040147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).