[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

C86H85BF24N4Si2 — CID 139124670

IUPAC[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
SMILESCC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1/[Si-]=[SiH]/c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1-c1c(C(C)C)cccc1C(C)C.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C54H73N4Si2.C32H12BF24/c1-33(2)41-21-17-22-42(34(3)4)49(41)55-29-30-56(50-43(35(5)6)23-18-24-44(50)36(7)8)53(55)59-60-54-57(51-45(37(9)10)25-19-26-46(51)38(11)12)31-32-58(54)52-47(39(13)14)27-20-28-48(52)40(15)16;34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57/h17-40,59H,1-16H3;1-12H/q+1;-1
InChIKeyYCBMVLCZGCFOIX-UHFFFAOYSA-N
MW1697.59 g/mol
LogP23.03
Rot. Bonds18

About [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide (PubChem CID 139124670) has the molecular formula C86H85BF24N4Si2 and a molecular weight of 1697.59 g/mol. Its IUPAC name is [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.

Molecular Properties

Compound Name[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
PubChem CID139124670
Molecular FormulaC86H85BF24N4Si2
Molecular Weight1697.59 g/mol
Exact Mass1696.60
IUPAC Name[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
SMILESCC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1/[Si-]=[SiH]/c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1-c1c(C(C)C)cccc1C(C)C.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C54H73N4Si2.C32H12BF24/c1-33(2)41-21-17-22-42(34(3)4)49(41)55-29-30-56(50-43(35(5)6)23-18-24-44(50)36(7)8)53(55)59-60-54-57(51-45(37(9)10)25-19-26-46(51)38(11)12)31-32-58(54)52-47(39(13)14)27-20-28-48(52)40(15)16;34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57/h17-40,59H,1-16H3;1-12H/q+1;-1
InChIKeyYCBMVLCZGCFOIX-UHFFFAOYSA-N
XLogP23.03
TPSA17.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001697.59
LogP ≤ 523.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide with MolForge

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Related Compounds

1-Benzyl-3-[4-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]phenyl]imidazol-1-ium dibromide
CID 46184867
AlkylFluor(TM)
CID 124203184
1-Benzyl-3-[4-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]phenyl]imidazol-1-ium
CID 46184868
3,3'-Methylenebis(1-(2,6-diisopropylphenyl)-3-imidazolium Bromide)
CID 78198750
1,3-Bis(2,6-di(pentan-3-yl)phenyl)-1H-imidazol-3-ium chloride
CID 92132781
1,3-Bis(2,6-diisopropylphenyl)imidazol-1-ium
CID 2734914
1,3-Bis(2,6-diisopropylphenyl)-2-fluoro-1H-imidazol-3-ium
CID 124203185
[1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)tetrazol-1-yl]boranuide
CID 139040215
[1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]phosphanylidenephosphane;bis(trifluoromethanesulfonate)
CID 139040353
[1,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-chloro-difluoroboranuide
CID 139045303
[{(IPr)PBr}2Br][BArF]
CID 139048860
Bis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]boronic acid);bis(trifluoromethanesulfonate)
CID 139100640

Frequently Asked Questions

What is the IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide (CID 139124670) is [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.
What is the SMILES notation for [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The canonical SMILES for [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide is CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1/[Si-]=[SiH]/c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1-c1c(C(C)C)cccc1C(C)C.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The InChIKey is YCBMVLCZGCFOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H73N4Si2.C32H12BF24/c1-33(2)41-21-17-22-42(34(3)4)49(41)55-29-30-56(50-43(35(5)6)23-18-24-44(50)36(7)8)53(55)59-60-54-57(51-45(37(9)10)25-19-26-46(51)38(11)12)31-32-58(54)52-47(39(13)14)27-20-28-48(52)40(15)16;34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57/h17-40,59H,1-16H3;1-12H/q+1;-1.
What are the key properties of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide has a molecular weight of 1697.59 g/mol, XLogP of 23.03, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]silylidenesilanide;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide is sourced from PubChem (CID 139124670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).