[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate)

C184H211F12N15O25S7 — CID 161279747

IUPAC[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate)
SMILESCCN1/C(=C/C=C/C(=C/C=C/C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)N(SOO[O-])C(=O)OC(C)(C)C)C(C)(C)c2c1ccc1ccccc21.CN(C(=O)OC(C)(C)C)C(=C\C=C\C1=[N+](C)c2ccccc2C1(C)C)/C=C/C=C1/N(C)c2ccccc2C1(C)C.CN1/C(=C/C=C/C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)N(SOO[O-])C(=O)OC(C)(C)C)C(C)(C)c2ccccc21.CN1C(=CC=CC(/C=C/C=C2/N(C)c3ccccc3C2(C)C)=[N+](/C)S(=O)(=O)C(F)(F)F)C(C)(C)c2ccccc21.Cc1ccc(S(=O)(=O)/[N+](C)=C(C=CC=C2N(C)c3ccccc3C2(C)C)/C=C/C=C2/N(C)c3ccccc3C2(C)C)cc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C44H49N3O5S.C37H42N3O2S.C35H44N3O2.C34H41N3O5S.C31H35F3N3O2S.3CHF3O3S/c1-10-45-35-28-26-30-18-12-14-22-33(30)39(35)43(6,7)37(45)24-16-20-32(47(53-52-51-49)41(48)50-42(3,4)5)21-17-25-38-44(8,9)40-34-23-15-13-19-31(34)27-29-36(40)46(38)11-2;1-27-23-25-29(26-24-27)43(41,42)40(8)28(15-13-21-34-36(2,3)30-17-9-11-19-32(30)38(34)6)16-14-22-35-37(4,5)31-18-10-12-20-33(31)39(35)7;1-33(2,3)40-32(39)36(8)25(17-15-23-30-34(4,5)26-19-11-13-21-28(26)37(30)9)18-16-24-31-35(6,7)27-20-12-14-22-29(27)38(31)10;1-32(2,3)40-31(38)37(43-42-41-39)24(16-14-22-29-33(4,5)25-18-10-12-20-27(25)35(29)8)17-15-23-30-34(6,7)26-19-11-13-21-28(26)36(30)9;1-29(2)23-16-8-10-18-25(23)35(5)27(29)20-12-14-22(37(7)40(38,39)31(32,33)34)15-13-21-28-30(3,4)24-17-9-11-19-26(24)36(28)6;3*2-1(3,4)8(5,6)7/h12-29H,10-11H2,1-9H3;9-26H,1-8H3;11-24H,1-10H3;10-23H,1-9H3;8-21H,1-7H3;3*(H,5,6,7)/q;2*+1;;+1;;;/p-3
InChIKeyVEXPJXVMBXVUCQ-UHFFFAOYSA-K
MW3485.24 g/mol
LogP39.31
Rot. Bonds34

About [(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate)

[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate) (PubChem CID 161279747) has the molecular formula C184H211F12N15O25S7 and a molecular weight of 3485.24 g/mol. Its IUPAC name is [(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate).

Molecular Properties

Compound Name[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate)
PubChem CID161279747
Molecular FormulaC184H211F12N15O25S7
Molecular Weight3485.24 g/mol
Exact Mass3482.36
IUPAC Name[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate)
SMILESCCN1/C(=C/C=C/C(=C/C=C/C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)N(SOO[O-])C(=O)OC(C)(C)C)C(C)(C)c2c1ccc1ccccc21.CN(C(=O)OC(C)(C)C)C(=C\C=C\C1=[N+](C)c2ccccc2C1(C)C)/C=C/C=C1/N(C)c2ccccc2C1(C)C.CN1/C(=C/C=C/C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)N(SOO[O-])C(=O)OC(C)(C)C)C(C)(C)c2ccccc21.CN1C(=CC=CC(/C=C/C=C2/N(C)c3ccccc3C2(C)C)=[N+](/C)S(=O)(=O)C(F)(F)F)C(C)(C)c2ccccc21.Cc1ccc(S(=O)(=O)/[N+](C)=C(C=CC=C2N(C)c3ccccc3C2(C)C)/C=C/C=C2/N(C)c3ccccc3C2(C)C)cc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C44H49N3O5S.C37H42N3O2S.C35H44N3O2.C34H41N3O5S.C31H35F3N3O2S.3CHF3O3S/c1-10-45-35-28-26-30-18-12-14-22-33(30)39(35)43(6,7)37(45)24-16-20-32(47(53-52-51-49)41(48)50-42(3,4)5)21-17-25-38-44(8,9)40-34-23-15-13-19-31(34)27-29-36(40)46(38)11-2;1-27-23-25-29(26-24-27)43(41,42)40(8)28(15-13-21-34-36(2,3)30-17-9-11-19-32(30)38(34)6)16-14-22-35-37(4,5)31-18-10-12-20-33(31)39(35)7;1-33(2,3)40-32(39)36(8)25(17-15-23-30-34(4,5)26-19-11-13-21-28(26)37(30)9)18-16-24-31-35(6,7)27-20-12-14-22-29(27)38(31)10;1-32(2,3)40-31(38)37(43-42-41-39)24(16-14-22-29-33(4,5)25-18-10-12-20-27(25)35(29)8)17-15-23-30-34(6,7)26-19-11-13-21-28(26)36(30)9;1-29(2)23-16-8-10-18-25(23)35(5)27(29)20-12-14-22(37(7)40(38,39)31(32,33)34)15-13-21-28-30(3,4)24-17-9-11-19-26(24)36(28)6;3*2-1(3,4)8(5,6)7/h12-29H,10-11H2,1-9H3;9-26H,1-8H3;11-24H,1-10H3;10-23H,1-9H3;8-21H,1-7H3;3*(H,5,6,7)/q;2*+1;;+1;;;/p-3
InChIKeyVEXPJXVMBXVUCQ-UHFFFAOYSA-K
XLogP39.31
TPSA449.27 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds34
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003485.24
LogP ≤ 539.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze [(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate) with MolForge

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Related Compounds

tert-butyl N-methyl-N-[1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate
CID 72538738
2-[(E,3Z)-3-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)prop-1-enyl]-1,1,3-trimethylbenzo[e]indol-3-ium
CID 20659161
3-butyl-2-[3-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]-1,1-dimethylbenzo[e]indole;copper;bis(4-methylbenzene-1,2-dithiolate);1,3,3,5-tetramethyl-2-[3-(1,3,3,5-tetramethylindol-1-ium-2-yl)prop-2-enylidene]indole;diperchlorate
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N-[2-[3-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium-5-yl]sulfanylperoxy-N-ethylethanamine
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2-[4,6-dibromo-9-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)nona-2,4,6,8-tetraenylidene]-1,1,3-trimethylbenzo[e]indole
CID 76785060
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(2E)-2-[(E)-3-[3-(7,7-dimethyloctyl)-1,1-dimethyl-7-oxidoperoxysulfanylbenzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,1,7-trimethylbenzo[e]indole
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CID 170901581
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4-[2-[3-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-yl]butane-1-sulfonate
CID 59086682
3-butyl-1,1-dimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]benzo[e]indole;1,5-dimethylnaphthalene
CID 91016408

Frequently Asked Questions

What is the IUPAC name of [(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate)?
The IUPAC name of [(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate) (CID 161279747) is [(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate).
What is the SMILES notation for [(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate)?
The canonical SMILES for [(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate) is CCN1/C(=C/C=C/C(=C/C=C/C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)N(SOO[O-])C(=O)OC(C)(C)C)C(C)(C)c2c1ccc1ccccc21.CN(C(=O)OC(C)(C)C)C(=C\C=C\C1=[N+](C)c2ccccc2C1(C)C)/C=C/C=C1/N(C)c2ccccc2C1(C)C.CN1/C(=C/C=C/C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)N(SOO[O-])C(=O)OC(C)(C)C)C(C)(C)c2ccccc21.CN1C(=CC=CC(/C=C/C=C2/N(C)c3ccccc3C2(C)C)=[N+](/C)S(=O)(=O)C(F)(F)F)C(C)(C)c2ccccc21.Cc1ccc(S(=O)(=O)/[N+](C)=C(C=CC=C2N(C)c3ccccc3C2(C)C)/C=C/C=C2/N(C)c3ccccc3C2(C)C)cc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of [(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate)?
The InChIKey is VEXPJXVMBXVUCQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C44H49N3O5S.C37H42N3O2S.C35H44N3O2.C34H41N3O5S.C31H35F3N3O2S.3CHF3O3S/c1-10-45-35-28-26-30-18-12-14-22-33(30)39(35)43(6,7)37(45)24-16-20-32(47(53-52-51-49)41(48)50-42(3,4)5)21-17-25-38-44(8,9)40-34-23-15-13-19-31(34)27-29-36(40)46(38)11-2;1-27-23-25-29(26-24-27)43(41,42)40(8)28(15-13-21-34-36(2,3)30-17-9-11-19-32(30)38(34)6)16-14-22-35-37(4,5)31-18-10-12-20-33(31)39(35)7;1-33(2,3)40-32(39)36(8)25(17-15-23-30-34(4,5)26-19-11-13-21-28(26)37(30)9)18-16-24-31-35(6,7)27-20-12-14-22-29(27)38(31)10;1-32(2,3)40-31(38)37(43-42-41-39)24(16-14-22-29-33(4,5)25-18-10-12-20-27(25)35(29)8)17-15-23-30-34(6,7)26-19-11-13-21-28(26)36(30)9;1-29(2)23-16-8-10-18-25(23)35(5)27(29)20-12-14-22(37(7)40(38,39)31(32,33)34)15-13-21-28-30(3,4)24-17-9-11-19-26(24)36(28)6;3*2-1(3,4)8(5,6)7/h12-29H,10-11H2,1-9H3;9-26H,1-8H3;11-24H,1-10H3;10-23H,1-9H3;8-21H,1-7H3;3*(H,5,6,7)/q;2*+1;;+1;;;/p-3.
What are the key properties of [(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate)?
[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate) has a molecular weight of 3485.24 g/mol, XLogP of 39.31, 34 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(4-methylphenyl)sulfonylazanium;[(5E,7E)-1,7-bis(1,3,3-trimethylindol-2-ylidene)hepta-2,5-dien-4-ylidene]-methyl-(trifluoromethylsulfonyl)azanium;tert-butyl N-[(1E,3Z,5E,7E)-1-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-7-(3-ethyl-1,1-dimethylbenzo[e]indol-2-ylidene)hepta-1,3,5-trien-4-yl]-N-oxidoperoxysulfanylcarbamate;tert-butyl N-methyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tert-butyl N-oxidoperoxysulfanyl-N-[(1E,3Z,5E,7E)-1-(1,3,3-trimethylindol-1-ium-2-yl)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]carbamate;tris(trifluoromethanesulfonate) is sourced from PubChem (CID 161279747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).