bis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+)

C35H50AuF6NO4PS2+ — CID 134939968

IUPACbis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+)
SMILESCC(C)c1cc(C(C)C)c(-c2ccccc2[PH+](C2CCCCC2)C2CCCCC2)c(C(C)C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Au+]
InChIInChI=1S/C33H49P.C2F6NO4S2.Au/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;;/q;-1;+1/p+1
InChIKeyGMVGZINKTXAKDT-UHFFFAOYSA-O
MW954.85 g/mol
LogP11.29
Rot. Bonds9

About bis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+)

bis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+) (PubChem CID 134939968) has the molecular formula C35H50AuF6NO4PS2+ and a molecular weight of 954.85 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+).

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+)
PubChem CID134939968
Molecular FormulaC35H50AuF6NO4PS2+
Molecular Weight954.85 g/mol
Exact Mass954.25
IUPAC Namebis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+)
SMILESCC(C)c1cc(C(C)C)c(-c2ccccc2[PH+](C2CCCCC2)C2CCCCC2)c(C(C)C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Au+]
InChIInChI=1S/C33H49P.C2F6NO4S2.Au/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;;/q;-1;+1/p+1
InChIKeyGMVGZINKTXAKDT-UHFFFAOYSA-O
XLogP11.29
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.85
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+)?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+) (CID 134939968) is bis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+).
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+)?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+) is CC(C)c1cc(C(C)C)c(-c2ccccc2[PH+](C2CCCCC2)C2CCCCC2)c(C(C)C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Au+].
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+)?
The InChIKey is GMVGZINKTXAKDT-UHFFFAOYSA-O. The full InChI is InChI=1S/C33H49P.C2F6NO4S2.Au/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;;/q;-1;+1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+)?
bis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+) has a molecular weight of 954.85 g/mol, XLogP of 11.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium;gold(1+) is sourced from PubChem (CID 134939968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).