tetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide

C249H266BCl7F27N17O27S11+4 — CID 158754126

IUPACtetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide
SMILESCC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCOc3cccc4ccccc34)c3ccccc3C2(C)C)=[N+](CCOc2cccc3ccccc23)c2ccccc21.CCC[N+]1=C(C=CC2=C(Cl)C(=CC=C3N(CCOC)c4ccc(Cl)cc4C3(C)C)CCC2)C(C)(C)c2cc(Cl)ccc21.CCC[N+]1=C(C=CC2=C(Cl)C(=CC=C3N(CCOC)c4ccc5ccccc5c4C3(C)C)CCC2)C(C)(C)c2c1ccc1ccccc21.CCC[N+]1=C(C=CC2=C(Cl)C(=CC=C3N(CCOC)c4ccccc4C3(C)C)CCC2)C(C)(C)c2ccccc21.CCC[n+]1c(C=CC2=C(Cl)C(=CC=C3Oc4ccccc4N3CCOC)CCC2)oc2ccccc21.CCC[n+]1c(C=CC2=C(Cl)C(=CC=C3Sc4ccccc4N3CCOC)CCC2)sc2ccccc21.C[N-]S(=O)(=O)C(F)(F)F.N#C[B-](C#N)(C#N)C#N
InChIInChI=1S/C51H49N2O2.C44H48ClN2O.C36H42Cl3N2O.C36H44ClN2O.C30H32ClN2O3.C30H32ClN2OS2.C4BN4.4C4H4F6O4S2.C2H3F3NO2S/c1-50(2)42-26-14-16-28-44(42)52(34-36-54-46-30-18-22-38-20-10-12-24-40(38)46)48(50)32-8-6-5-7-9-33-49-51(3,4)43-27-15-17-29-45(43)53(49)35-37-55-47-31-19-23-39-21-11-13-25-41(39)47;1-7-27-46-36-23-19-30-13-8-10-17-34(30)40(36)43(2,3)38(46)25-21-32-15-12-16-33(42(32)45)22-26-39-44(4,5)41-35-18-11-9-14-31(35)20-24-37(41)47(39)28-29-48-6;1-7-19-40-30-15-13-26(37)22-28(30)35(2,3)32(40)17-11-24-9-8-10-25(34(24)39)12-18-33-36(4,5)29-23-27(38)14-16-31(29)41(33)20-21-42-6;1-7-23-38-30-17-10-8-15-28(30)35(2,3)32(38)21-19-26-13-12-14-27(34(26)37)20-22-33-36(4,5)29-16-9-11-18-31(29)39(33)24-25-40-6;2*1-3-19-32-24-11-4-6-13-26(24)35-28(32)17-15-22-9-8-10-23(30(22)31)16-18-29-33(20-21-34-2)25-12-5-7-14-27(25)36-29;6-1-5(2-7,3-8)4-9;4*1-2(15(11,12)3(5,6)7)16(13,14)4(8,9)10;1-6-9(7,8)2(3,4)5/h5-33H,34-37H2,1-4H3;8-11,13-14,17-26H,7,12,15-16,27-29H2,1-6H3;11-18,22-23H,7-10,19-21H2,1-6H3;8-11,15-22H,7,12-14,23-25H2,1-6H3;2*4-7,11-18H,3,8-10,19-21H2,1-2H3;;4*2H,1H3;1H3/q6*+1;-1;;;;;-1
InChIKeyINVRULUENZOHAX-UHFFFAOYSA-N
MW5053.63 g/mol
LogP63.15
Rot. Bonds61

About tetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide

tetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide (PubChem CID 158754126) has the molecular formula C249H266BCl7F27N17O27S11+4 and a molecular weight of 5053.63 g/mol. Its IUPAC name is tetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide.

Molecular Properties

Compound Nametetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide
PubChem CID158754126
Molecular FormulaC249H266BCl7F27N17O27S11+4
Molecular Weight5053.63 g/mol
Exact Mass5046.44
IUPAC Nametetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide
SMILESCC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCOc3cccc4ccccc34)c3ccccc3C2(C)C)=[N+](CCOc2cccc3ccccc23)c2ccccc21.CCC[N+]1=C(C=CC2=C(Cl)C(=CC=C3N(CCOC)c4ccc(Cl)cc4C3(C)C)CCC2)C(C)(C)c2cc(Cl)ccc21.CCC[N+]1=C(C=CC2=C(Cl)C(=CC=C3N(CCOC)c4ccc5ccccc5c4C3(C)C)CCC2)C(C)(C)c2c1ccc1ccccc21.CCC[N+]1=C(C=CC2=C(Cl)C(=CC=C3N(CCOC)c4ccccc4C3(C)C)CCC2)C(C)(C)c2ccccc21.CCC[n+]1c(C=CC2=C(Cl)C(=CC=C3Oc4ccccc4N3CCOC)CCC2)oc2ccccc21.CCC[n+]1c(C=CC2=C(Cl)C(=CC=C3Sc4ccccc4N3CCOC)CCC2)sc2ccccc21.C[N-]S(=O)(=O)C(F)(F)F.N#C[B-](C#N)(C#N)C#N
InChIInChI=1S/C51H49N2O2.C44H48ClN2O.C36H42Cl3N2O.C36H44ClN2O.C30H32ClN2O3.C30H32ClN2OS2.C4BN4.4C4H4F6O4S2.C2H3F3NO2S/c1-50(2)42-26-14-16-28-44(42)52(34-36-54-46-30-18-22-38-20-10-12-24-40(38)46)48(50)32-8-6-5-7-9-33-49-51(3,4)43-27-15-17-29-45(43)53(49)35-37-55-47-31-19-23-39-21-11-13-25-41(39)47;1-7-27-46-36-23-19-30-13-8-10-17-34(30)40(36)43(2,3)38(46)25-21-32-15-12-16-33(42(32)45)22-26-39-44(4,5)41-35-18-11-9-14-31(35)20-24-37(41)47(39)28-29-48-6;1-7-19-40-30-15-13-26(37)22-28(30)35(2,3)32(40)17-11-24-9-8-10-25(34(24)39)12-18-33-36(4,5)29-23-27(38)14-16-31(29)41(33)20-21-42-6;1-7-23-38-30-17-10-8-15-28(30)35(2,3)32(38)21-19-26-13-12-14-27(34(26)37)20-22-33-36(4,5)29-16-9-11-18-31(29)39(33)24-25-40-6;2*1-3-19-32-24-11-4-6-13-26(24)35-28(32)17-15-22-9-8-10-23(30(22)31)16-18-29-33(20-21-34-2)25-12-5-7-14-27(25)36-29;6-1-5(2-7,3-8)4-9;4*1-2(15(11,12)3(5,6)7)16(13,14)4(8,9)10;1-6-9(7,8)2(3,4)5/h5-33H,34-37H2,1-4H3;8-11,13-14,17-26H,7,12,15-16,27-29H2,1-6H3;11-18,22-23H,7-10,19-21H2,1-6H3;8-11,15-22H,7,12-14,23-25H2,1-6H3;2*4-7,11-18H,3,8-10,19-21H2,1-2H3;;4*2H,1H3;1H3/q6*+1;-1;;;;;-1
InChIKeyINVRULUENZOHAX-UHFFFAOYSA-N
XLogP63.15
TPSA542.74 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds61
Heavy Atoms339
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005053.63
LogP ≤ 563.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze tetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide?
The IUPAC name of tetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide (CID 158754126) is tetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide.
What is the SMILES notation for tetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide?
The canonical SMILES for tetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide is CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCOc3cccc4ccccc34)c3ccccc3C2(C)C)=[N+](CCOc2cccc3ccccc23)c2ccccc21.CCC[N+]1=C(C=CC2=C(Cl)C(=CC=C3N(CCOC)c4ccc(Cl)cc4C3(C)C)CCC2)C(C)(C)c2cc(Cl)ccc21.CCC[N+]1=C(C=CC2=C(Cl)C(=CC=C3N(CCOC)c4ccc5ccccc5c4C3(C)C)CCC2)C(C)(C)c2c1ccc1ccccc21.CCC[N+]1=C(C=CC2=C(Cl)C(=CC=C3N(CCOC)c4ccccc4C3(C)C)CCC2)C(C)(C)c2ccccc21.CCC[n+]1c(C=CC2=C(Cl)C(=CC=C3Oc4ccccc4N3CCOC)CCC2)oc2ccccc21.CCC[n+]1c(C=CC2=C(Cl)C(=CC=C3Sc4ccccc4N3CCOC)CCC2)sc2ccccc21.C[N-]S(=O)(=O)C(F)(F)F.N#C[B-](C#N)(C#N)C#N.
What is the InChIKey of tetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide?
The InChIKey is INVRULUENZOHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H49N2O2.C44H48ClN2O.C36H42Cl3N2O.C36H44ClN2O.C30H32ClN2O3.C30H32ClN2OS2.C4BN4.4C4H4F6O4S2.C2H3F3NO2S/c1-50(2)42-26-14-16-28-44(42)52(34-36-54-46-30-18-22-38-20-10-12-24-40(38)46)48(50)32-8-6-5-7-9-33-49-51(3,4)43-27-15-17-29-45(43)53(49)35-37-55-47-31-19-23-39-21-11-13-25-41(39)47;1-7-27-46-36-23-19-30-13-8-10-17-34(30)40(36)43(2,3)38(46)25-21-32-15-12-16-33(42(32)45)22-26-39-44(4,5)41-35-18-11-9-14-31(35)20-24-37(41)47(39)28-29-48-6;1-7-19-40-30-15-13-26(37)22-28(30)35(2,3)32(40)17-11-24-9-8-10-25(34(24)39)12-18-33-36(4,5)29-23-27(38)14-16-31(29)41(33)20-21-42-6;1-7-23-38-30-17-10-8-15-28(30)35(2,3)32(38)21-19-26-13-12-14-27(34(26)37)20-22-33-36(4,5)29-16-9-11-18-31(29)39(33)24-25-40-6;2*1-3-19-32-24-11-4-6-13-26(24)35-28(32)17-15-22-9-8-10-23(30(22)31)16-18-29-33(20-21-34-2)25-12-5-7-14-27(25)36-29;6-1-5(2-7,3-8)4-9;4*1-2(15(11,12)3(5,6)7)16(13,14)4(8,9)10;1-6-9(7,8)2(3,4)5/h5-33H,34-37H2,1-4H3;8-11,13-14,17-26H,7,12,15-16,27-29H2,1-6H3;11-18,22-23H,7-10,19-21H2,1-6H3;8-11,15-22H,7,12-14,23-25H2,1-6H3;2*4-7,11-18H,3,8-10,19-21H2,1-2H3;;4*2H,1H3;1H3/q6*+1;-1;;;;;-1.
What are the key properties of tetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide?
tetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide has a molecular weight of 5053.63 g/mol, XLogP of 63.15, 61 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,1-bis(trifluoromethylsulfonyl)ethane);5-chloro-2-[2-[2-chloro-3-[2-(5-chloro-3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-(1,1-dimethyl-3-propylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(2-methoxyethyl)-1,1-dimethylbenzo[e]indole;2-[2-[2-chloro-3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(2-methoxyethyl)-3,3-dimethylindole;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzothiazol-3-ium;2-[2-[2-chloro-3-[2-[3-(2-methoxyethyl)-1,3-benzoxazol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3-propyl-1,3-benzoxazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-naphthalen-1-yloxyethyl)indole;methyl(trifluoromethylsulfonyl)azanide;tetracyanoboranuide is sourced from PubChem (CID 158754126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).