dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+))

C31H28Au2NP2+ — CID 135082659

IUPACdimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+))
SMILES[Au+].[Au+].[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C17H14NP.C14H14P.2Au/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;/h1-14H;3-12H,1-2H2;;/q;-1;2*+1
InChIKeyLKRHFNDIESSNLQ-UHFFFAOYSA-N
MW870.45 g/mol
LogP6.07
Rot. Bonds5

About dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+))

dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+)) (PubChem CID 135082659) has the molecular formula C31H28Au2NP2+ and a molecular weight of 870.45 g/mol. Its IUPAC name is dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+)).

Molecular Properties

Compound Namedimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+))
PubChem CID135082659
Molecular FormulaC31H28Au2NP2+
Molecular Weight870.45 g/mol
Exact Mass870.10
IUPAC Namedimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+))
SMILES[Au+].[Au+].[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C17H14NP.C14H14P.2Au/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;/h1-14H;3-12H,1-2H2;;/q;-1;2*+1
InChIKeyLKRHFNDIESSNLQ-UHFFFAOYSA-N
XLogP6.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.45
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diphenyl(pyridin-2-yl)phosphane
CID 621893
chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane)
CID 11147372
bis(4-fluorophenyl)-pyridin-2-ylphosphane
CID 87213257
bis(4-methylphenyl)-pyridin-2-ylphosphane
CID 21284190
bis(4-ethenylphenyl)-pyridin-2-ylphosphane
CID 122653862
bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 11982785
carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium
CID 159189675
(6-deuterio-2-pyridinyl)-diphenylphosphane
CID 11021746
phosphanium;tris(triphenylphosphane);chloride
CID 160938283
triphenylphosphane;yttrium
CID 139917776
dicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane
CID 166775460
rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367

Frequently Asked Questions

What is the IUPAC name of dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+))?
The IUPAC name of dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+)) (CID 135082659) is dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+)).
What is the SMILES notation for dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+))?
The canonical SMILES for dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+)) is [Au+].[Au+].[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+))?
The InChIKey is LKRHFNDIESSNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14NP.C14H14P.2Au/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;/h1-14H;3-12H,1-2H2;;/q;-1;2*+1.
What are the key properties of dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+))?
dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+)) has a molecular weight of 870.45 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+)) is sourced from PubChem (CID 135082659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).