carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate

C73H63Au4BF4P4 — CID 134901648

IUPACcarbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate
SMILESF[B-](F)(F)F.[Au+].[Au+].[Au].[Au].[CH3-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.CH3.4Au.BF4/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;2-1(3,4)5/h4*1-15H;1H3;;;;;/q;;;;-1;;;2*+1;-1
InChIKeyQQEFDRKPLWNACA-UHFFFAOYSA-N
MW1938.88 g/mol
LogP15.52
Rot. Bonds12

About carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate

carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate (PubChem CID 134901648) has the molecular formula C73H63Au4BF4P4 and a molecular weight of 1938.88 g/mol. Its IUPAC name is carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate.

Molecular Properties

Compound Namecarbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate
PubChem CID134901648
Molecular FormulaC73H63Au4BF4P4
Molecular Weight1938.88 g/mol
Exact Mass1938.26
IUPAC Namecarbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate
SMILESF[B-](F)(F)F.[Au+].[Au+].[Au].[Au].[CH3-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.CH3.4Au.BF4/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;2-1(3,4)5/h4*1-15H;1H3;;;;;/q;;;;-1;;;2*+1;-1
InChIKeyQQEFDRKPLWNACA-UHFFFAOYSA-N
XLogP15.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001938.88
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(triphenylphosphane);tetrafluoroborate
CID 175134442
gold;bis(gold(1+));trimethyl(trimethylsilylmethyl)silane;tris(triphenylphosphane);tetrafluoroborate
CID 135082793
carbanide;platinum(2+);bis(triphenylphosphane)
CID 11007152
triphenylphosphane
CID 139056248
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
tris(triphenylphosphane);trihydrochloride
CID 173282987
tris(triphenylphosphane);hydrobromide
CID 172722268
palladium;bis(triphenylphosphane)
CID 10122028
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280

Frequently Asked Questions

What is the IUPAC name of carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate?
The IUPAC name of carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate (CID 134901648) is carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate.
What is the SMILES notation for carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate?
The canonical SMILES for carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate is F[B-](F)(F)F.[Au+].[Au+].[Au].[Au].[CH3-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate?
The InChIKey is QQEFDRKPLWNACA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.CH3.4Au.BF4/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;2-1(3,4)5/h4*1-15H;1H3;;;;;/q;;;;-1;;;2*+1;-1.
What are the key properties of carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate?
carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate has a molecular weight of 1938.88 g/mol, XLogP of 15.52, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;gold;bis(gold(1+));tetrakis(triphenylphosphane);tetrafluoroborate is sourced from PubChem (CID 134901648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).