difluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene

C45H69AgF5S3 — CID 159312206

IUPACdifluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene
SMILESCC(C)c1cc(C(C)C)c(S(F)(F)F)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(SSc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.F[Ag]F
InChIInChI=1S/C30H46S2.C15H23F3S.Ag.2FH/c1-17(2)23-13-25(19(5)6)29(26(14-23)20(7)8)31-32-30-27(21(9)10)15-24(18(3)4)16-28(30)22(11)12;1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6;;;/h13-22H,1-12H3;7-11H,1-6H3;;2*1H/q;;+2;;/p-2
InChIKeyLCROEEZIDBTSDQ-UHFFFAOYSA-L
MW909.11 g/mol
LogP18.94
Rot. Bonds13

About difluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene

difluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene (PubChem CID 159312206) has the molecular formula C45H69AgF5S3 and a molecular weight of 909.11 g/mol. Its IUPAC name is difluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene.

Molecular Properties

Compound Namedifluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene
PubChem CID159312206
Molecular FormulaC45H69AgF5S3
Molecular Weight909.11 g/mol
Exact Mass907.35
IUPAC Namedifluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene
SMILESCC(C)c1cc(C(C)C)c(S(F)(F)F)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(SSc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.F[Ag]F
InChIInChI=1S/C30H46S2.C15H23F3S.Ag.2FH/c1-17(2)23-13-25(19(5)6)29(26(14-23)20(7)8)31-32-30-27(21(9)10)15-24(18(3)4)16-28(30)22(11)12;1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6;;;/h13-22H,1-12H3;7-11H,1-6H3;;2*1H/q;;+2;;/p-2
InChIKeyLCROEEZIDBTSDQ-UHFFFAOYSA-L
XLogP18.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.11
LogP ≤ 518.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze difluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene with MolForge

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Related Compounds

2-hydroxysulfanyl-1,3,5-tri(propan-2-yl)benzene;methanol
CID 145144506
lithium 2,4,6-tri(propan-2-yl)benzenesulfonate
CID 155386874
N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 123143002
CID 101233862
CID 101233862
oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane
CID 59594085
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
2-ethenyl-1,3,5-tri(propan-2-yl)benzene
CID 12920624
[2,4,6-tri(propan-2-yl)phenyl]tellanyllithium
CID 134893243
S-[2,4,6-tri(propan-2-yl)phenyl] 2-bromopropanethioate
CID 11383137
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
bis[2,4,6-tri(propan-2-yl)phenyl]germane
CID 71343686

Frequently Asked Questions

What is the IUPAC name of difluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene?
The IUPAC name of difluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene (CID 159312206) is difluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene.
What is the SMILES notation for difluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene?
The canonical SMILES for difluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene is CC(C)c1cc(C(C)C)c(S(F)(F)F)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(SSc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.F[Ag]F.
What is the InChIKey of difluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene?
The InChIKey is LCROEEZIDBTSDQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H46S2.C15H23F3S.Ag.2FH/c1-17(2)23-13-25(19(5)6)29(26(14-23)20(7)8)31-32-30-27(21(9)10)15-24(18(3)4)16-28(30)22(11)12;1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6;;;/h13-22H,1-12H3;7-11H,1-6H3;;2*1H/q;;+2;;/p-2.
What are the key properties of difluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene?
difluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene has a molecular weight of 909.11 g/mol, XLogP of 18.94, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluorosilver;trifluoro-[2,4,6-tri(propan-2-yl)phenyl]-λ4-sulfane;1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene is sourced from PubChem (CID 159312206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).