About 2-[(1-benzyl-1,3-dimethylbenzo[e]indol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindole;(2E)-2-[(E)-3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-methylbutyl)-5-nitroindole;2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;2-[(E,3E)-3-[1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propylindol-1-ium;(2E)-1,3,3-trimethyl-4-nitro-2-[(1,3,3-trimethyl-4-nitroindol-1-ium-2-yl)methylidene]indole
2-[(1-benzyl-1,3-dimethylbenzo[e]indol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindole;(2E)-2-[(E)-3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-methylbutyl)-5-nitroindole;2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;2-[(E,3E)-3-[1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propylindol-1-ium;(2E)-1,3,3-trimethyl-4-nitro-2-[(1,3,3-trimethyl-4-nitroindol-1-ium-2-yl)methylidene]indole (PubChem CID 158592935) has the molecular formula C194H222F3N21O18S+6
and a molecular weight of 3225.10 g/mol. Its IUPAC name is 2-[(1-benzyl-1,3-dimethylbenzo[e]indol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindole;(2E)-2-[(E)-3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-methylbutyl)-5-nitroindole;2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;2-[(E,3E)-3-[1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propylindol-1-ium;(2E)-1,3,3-trimethyl-4-nitro-2-[(1,3,3-trimethyl-4-nitroindol-1-ium-2-yl)methylidene]indole.
Frequently Asked Questions
What is the IUPAC name of 2-[(1-benzyl-1,3-dimethylbenzo[e]indol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindole;(2E)-2-[(E)-3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-methylbutyl)-5-nitroindole;2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;2-[(E,3E)-3-[1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propylindol-1-ium;(2E)-1,3,3-trimethyl-4-nitro-2-[(1,3,3-trimethyl-4-nitroindol-1-ium-2-yl)methylidene]indole?
The IUPAC name of 2-[(1-benzyl-1,3-dimethylbenzo[e]indol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindole;(2E)-2-[(E)-3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-methylbutyl)-5-nitroindole;2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;2-[(E,3E)-3-[1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propylindol-1-ium;(2E)-1,3,3-trimethyl-4-nitro-2-[(1,3,3-trimethyl-4-nitroindol-1-ium-2-yl)methylidene]indole (CID 158592935) is 2-[(1-benzyl-1,3-dimethylbenzo[e]indol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindole;(2E)-2-[(E)-3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-methylbutyl)-5-nitroindole;2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;2-[(E,3E)-3-[1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propylindol-1-ium;(2E)-1,3,3-trimethyl-4-nitro-2-[(1,3,3-trimethyl-4-nitroindol-1-ium-2-yl)methylidene]indole.
What is the SMILES notation for 2-[(1-benzyl-1,3-dimethylbenzo[e]indol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindole;(2E)-2-[(E)-3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-methylbutyl)-5-nitroindole;2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;2-[(E,3E)-3-[1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propylindol-1-ium;(2E)-1,3,3-trimethyl-4-nitro-2-[(1,3,3-trimethyl-4-nitroindol-1-ium-2-yl)methylidene]indole?
The canonical SMILES for 2-[(1-benzyl-1,3-dimethylbenzo[e]indol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindole;(2E)-2-[(E)-3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-methylbutyl)-5-nitroindole;2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;2-[(E,3E)-3-[1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propylindol-1-ium;(2E)-1,3,3-trimethyl-4-nitro-2-[(1,3,3-trimethyl-4-nitroindol-1-ium-2-yl)methylidene]indole is CC(C)CCN1/C(=C/C=C/C2=[N+](CCC(C)C)c3ccc([N+](=O)[O-])cc3C2(C)C)C(C)(C)c2cc([N+](=O)[O-])ccc21.CC(C)CCN1/C(=C/C=C/C=C/C=C/C2=[N+](CCC(C)C)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C2(C)C)C(C)(C)c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-].CC(C)CCN1C(=CC=CC2=[N+](CCC(C)C)c3ccc(C(F)(F)F)cc3C2(C)C)C(C)(C)c2cc([N+](=O)[O-])ccc21.CCC[N+]1=C(/C=C/C=C2/N(C)c3ccccc3C2(C)Cc2ccc3ccccc3c2)C(C)(C)c2ccccc21.CN1/C(=C/C2=[N+](C)c3cccc([N+](=O)[O-])c3C2(C)C)C(C)(C)c2c1cccc2[N+](=O)[O-].CN1C(=Cc2sc3ccccc3[n+]2C)C(C)(Cc2ccccc2)c2c1ccc1ccccc21.
What is the InChIKey of 2-[(1-benzyl-1,3-dimethylbenzo[e]indol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindole;(2E)-2-[(E)-3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-methylbutyl)-5-nitroindole;2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;2-[(E,3E)-3-[1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propylindol-1-ium;(2E)-1,3,3-trimethyl-4-nitro-2-[(1,3,3-trimethyl-4-nitroindol-1-ium-2-yl)methylidene]indole?
The InChIKey is HUQYUQLVESDCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45N6O8.C37H39N2.C34H43F3N3O2.C33H43N4O4.C30H27N2S.C23H25N4O4/c1-24(2)16-18-38-28-20-26(40(44)45)22-30(42(48)49)34(28)36(5,6)32(38)14-12-10-9-11-13-15-33-37(7,8)35-29(39(33)19-17-25(3)4)21-27(41(46)47)23-31(35)43(50)51;1-6-24-39-33-19-12-9-16-30(33)36(2,3)34(39)20-13-21-35-37(4,31-17-10-11-18-32(31)38(35)5)26-27-22-23-28-14-7-8-15-29(28)25-27;1-22(2)16-18-38-28-14-12-24(34(35,36)37)20-26(28)32(5,6)30(38)10-9-11-31-33(7,8)27-21-25(40(41)42)13-15-29(27)39(31)19-17-23(3)4;1-22(2)16-18-34-28-14-12-24(36(38)39)20-26(28)32(5,6)30(34)10-9-11-31-33(7,8)27-21-25(37(40)41)13-15-29(27)35(31)19-17-23(3)4;1-30(20-21-11-5-4-6-12-21)27(19-28-32(3)24-15-9-10-16-26(24)33-28)31(2)25-18-17-22-13-7-8-14-23(22)29(25)30;1-22(2)18(24(5)14-9-7-11-16(20(14)22)26(28)29)13-19-23(3,4)21-15(25(19)6)10-8-12-17(21)27(30)31/h9-15,20-25H,16-19H2,1-8H3;7-23,25H,6,24,26H2,1-5H3;9-15,20-23H,16-19H2,1-8H3;9-15,20-23H,16-19H2,1-8H3;4-19H,20H2,1-3H3;7-13H,1-6H3/q6*+1.
What are the key properties of 2-[(1-benzyl-1,3-dimethylbenzo[e]indol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindole;(2E)-2-[(E)-3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-methylbutyl)-5-nitroindole;2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;2-[(E,3E)-3-[1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propylindol-1-ium;(2E)-1,3,3-trimethyl-4-nitro-2-[(1,3,3-trimethyl-4-nitroindol-1-ium-2-yl)methylidene]indole?
2-[(1-benzyl-1,3-dimethylbenzo[e]indol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindole;(2E)-2-[(E)-3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-methylbutyl)-5-nitroindole;2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;2-[(E,3E)-3-[1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propylindol-1-ium;(2E)-1,3,3-trimethyl-4-nitro-2-[(1,3,3-trimethyl-4-nitroindol-1-ium-2-yl)methylidene]indole has a molecular weight of 3225.10 g/mol, XLogP of 47.07, 45 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-1,3-dimethylbenzo[e]indol-2-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(3-methylbutyl)-4,6-dinitroindole;(2E)-2-[(E)-3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-methylbutyl)-5-nitroindole;2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-nitroindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;2-[(E,3E)-3-[1,3-dimethyl-3-(naphthalen-2-ylmethyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-propylindol-1-ium;(2E)-1,3,3-trimethyl-4-nitro-2-[(1,3,3-trimethyl-4-nitroindol-1-ium-2-yl)methylidene]indole is sourced from PubChem (CID 158592935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).