bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate

C301H308B2Cl6F11IN20O14S8 — CID 159056227

IUPACbis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate
SMILESCCN1/C(=C/C=C/C=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21.CCN1C(=CC=C2CC/C(=C\C=C3\N(CC)c4ccc(Cl)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(Cl)ccc21.CCN1C(=CC=C2CC/C(=C\C=C3\N(CC)c4ccc(Cl)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(Cl)ccc21.CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2[n+]2ccccc2)C(C)(C)c2c1ccc1ccccc21.CSc1nnc(SC2=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CC/C2=C\C=C2\N(C)c3ccccc3C2(C)C)s1.Cc1ccc(OC2=C(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)CCC/C2=C\C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(C)c4ccc(C)cc4C3(C)C)C1=[N+](c1ccccc1)c1ccccc1)N2C.FB(F)F.FB(F)F.O=S(=O)([O-])C(F)(F)F.[Cl-].[F-].[F-].[I-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C47H47N2O.2C45H46Cl2N3.C45H45N3.C45H48N3.C34H37N4S3.C25H25N2S2.2C7H8O3S.CHF3O3S.2BF3.ClHO4.ClH.2FH.HI/c1-31-19-25-36(26-20-31)50-45-34(23-29-41-46(2,3)43-37-17-10-8-13-32(37)21-27-39(43)48(41)6)15-12-16-35(45)24-30-42-47(4,5)44-38-18-11-9-14-33(38)22-28-40(44)49(42)7;2*1-7-48-39-25-23-33(46)29-37(39)44(3,4)41(48)27-21-31-19-20-32(43(31)50(35-15-11-9-12-16-35)36-17-13-10-14-18-36)22-28-42-45(5,6)38-30-34(47)24-26-40(38)49(42)8-2;1-44(2)39(46(5)37-25-21-31-15-8-10-19-35(31)41(37)44)27-23-33-17-14-18-34(43(33)48-29-12-7-13-30-48)24-28-40-45(3,4)42-36-20-11-9-16-32(36)22-26-38(42)47(40)6;1-31-19-25-39-37(29-31)44(3,4)41(46(39)7)27-23-33-21-22-34(24-28-42-45(5,6)38-30-32(2)20-26-40(38)47(42)8)43(33)48(35-15-11-9-12-16-35)36-17-13-10-14-18-36;1-33(2)24-12-8-10-14-26(24)37(5)28(33)20-18-22-16-17-23(30(22)40-32-36-35-31(39-7)41-32)19-21-29-34(3,4)25-13-9-11-15-27(25)38(29)6;1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;2*1-6-2-4-7(5-3-6)11(8,9)10;2-1(3,4)8(5,6)7;2*2-1(3)4;2-1(3,4)5;;;;/h8-11,13-14,17-30H,12,15-16H2,1-7H3;2*9-18,21-30H,7-8,19-20H2,1-6H3;7-13,15-16,19-30H,14,17-18H2,1-6H3;9-20,23-30H,21-22H2,1-8H3;8-15,18-21H,16-17H2,1-7H3;5-19H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10);(H,5,6,7);;;(H,2,3,4,5);4*1H/q3*+1;+2;3*+1;;;;;;;;;;/p-8
InChIKeyBJXODFRHKCMBBP-UHFFFAOYSA-F
MW5256.66 g/mol
LogP59.86
Rot. Bonds39

About bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate

bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate (PubChem CID 159056227) has the molecular formula C301H308B2Cl6F11IN20O14S8 and a molecular weight of 5256.66 g/mol. Its IUPAC name is bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate.

Molecular Properties

Compound Namebis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate
PubChem CID159056227
Molecular FormulaC301H308B2Cl6F11IN20O14S8
Molecular Weight5256.66 g/mol
Exact Mass5249.90
IUPAC Namebis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate
SMILESCCN1/C(=C/C=C/C=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21.CCN1C(=CC=C2CC/C(=C\C=C3\N(CC)c4ccc(Cl)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(Cl)ccc21.CCN1C(=CC=C2CC/C(=C\C=C3\N(CC)c4ccc(Cl)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(Cl)ccc21.CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2[n+]2ccccc2)C(C)(C)c2c1ccc1ccccc21.CSc1nnc(SC2=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CC/C2=C\C=C2\N(C)c3ccccc3C2(C)C)s1.Cc1ccc(OC2=C(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)CCC/C2=C\C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(C)c4ccc(C)cc4C3(C)C)C1=[N+](c1ccccc1)c1ccccc1)N2C.FB(F)F.FB(F)F.O=S(=O)([O-])C(F)(F)F.[Cl-].[F-].[F-].[I-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C47H47N2O.2C45H46Cl2N3.C45H45N3.C45H48N3.C34H37N4S3.C25H25N2S2.2C7H8O3S.CHF3O3S.2BF3.ClHO4.ClH.2FH.HI/c1-31-19-25-36(26-20-31)50-45-34(23-29-41-46(2,3)43-37-17-10-8-13-32(37)21-27-39(43)48(41)6)15-12-16-35(45)24-30-42-47(4,5)44-38-18-11-9-14-33(38)22-28-40(44)49(42)7;2*1-7-48-39-25-23-33(46)29-37(39)44(3,4)41(48)27-21-31-19-20-32(43(31)50(35-15-11-9-12-16-35)36-17-13-10-14-18-36)22-28-42-45(5,6)38-30-34(47)24-26-40(38)49(42)8-2;1-44(2)39(46(5)37-25-21-31-15-8-10-19-35(31)41(37)44)27-23-33-17-14-18-34(43(33)48-29-12-7-13-30-48)24-28-40-45(3,4)42-36-20-11-9-16-32(36)22-26-38(42)47(40)6;1-31-19-25-39-37(29-31)44(3,4)41(46(39)7)27-23-33-21-22-34(24-28-42-45(5,6)38-30-32(2)20-26-40(38)47(42)8)43(33)48(35-15-11-9-12-16-35)36-17-13-10-14-18-36;1-33(2)24-12-8-10-14-26(24)37(5)28(33)20-18-22-16-17-23(30(22)40-32-36-35-31(39-7)41-32)19-21-29-34(3,4)25-13-9-11-15-27(25)38(29)6;1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;2*1-6-2-4-7(5-3-6)11(8,9)10;2-1(3,4)8(5,6)7;2*2-1(3)4;2-1(3,4)5;;;;/h8-11,13-14,17-30H,12,15-16H2,1-7H3;2*9-18,21-30H,7-8,19-20H2,1-6H3;7-13,15-16,19-30H,14,17-18H2,1-6H3;9-20,23-30H,21-22H2,1-8H3;8-15,18-21H,16-17H2,1-7H3;5-19H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10);(H,5,6,7);;;(H,2,3,4,5);4*1H/q3*+1;+2;3*+1;;;;;;;;;;/p-8
InChIKeyBJXODFRHKCMBBP-UHFFFAOYSA-F
XLogP59.86
TPSA357.07 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds39
Heavy Atoms363
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005256.66
LogP ≤ 559.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate with MolForge

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What is the IUPAC name of bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate?
The IUPAC name of bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate (CID 159056227) is bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate.
What is the SMILES notation for bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate?
The canonical SMILES for bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate is CCN1/C(=C/C=C/C=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21.CCN1C(=CC=C2CC/C(=C\C=C3\N(CC)c4ccc(Cl)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(Cl)ccc21.CCN1C(=CC=C2CC/C(=C\C=C3\N(CC)c4ccc(Cl)cc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cc(Cl)ccc21.CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2[n+]2ccccc2)C(C)(C)c2c1ccc1ccccc21.CSc1nnc(SC2=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CC/C2=C\C=C2\N(C)c3ccccc3C2(C)C)s1.Cc1ccc(OC2=C(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)CCC/C2=C\C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CC/C(=C\C=C3\N(C)c4ccc(C)cc4C3(C)C)C1=[N+](c1ccccc1)c1ccccc1)N2C.FB(F)F.FB(F)F.O=S(=O)([O-])C(F)(F)F.[Cl-].[F-].[F-].[I-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate?
The InChIKey is BJXODFRHKCMBBP-UHFFFAOYSA-F. The full InChI is InChI=1S/C47H47N2O.2C45H46Cl2N3.C45H45N3.C45H48N3.C34H37N4S3.C25H25N2S2.2C7H8O3S.CHF3O3S.2BF3.ClHO4.ClH.2FH.HI/c1-31-19-25-36(26-20-31)50-45-34(23-29-41-46(2,3)43-37-17-10-8-13-32(37)21-27-39(43)48(41)6)15-12-16-35(45)24-30-42-47(4,5)44-38-18-11-9-14-33(38)22-28-40(44)49(42)7;2*1-7-48-39-25-23-33(46)29-37(39)44(3,4)41(48)27-21-31-19-20-32(43(31)50(35-15-11-9-12-16-35)36-17-13-10-14-18-36)22-28-42-45(5,6)38-30-34(47)24-26-40(38)49(42)8-2;1-44(2)39(46(5)37-25-21-31-15-8-10-19-35(31)41(37)44)27-23-33-17-14-18-34(43(33)48-29-12-7-13-30-48)24-28-40-45(3,4)42-36-20-11-9-16-32(36)22-26-38(42)47(40)6;1-31-19-25-39-37(29-31)44(3,4)41(46(39)7)27-23-33-21-22-34(24-28-42-45(5,6)38-30-32(2)20-26-40(38)47(42)8)43(33)48(35-15-11-9-12-16-35)36-17-13-10-14-18-36;1-33(2)24-12-8-10-14-26(24)37(5)28(33)20-18-22-16-17-23(30(22)40-32-36-35-31(39-7)41-32)19-21-29-34(3,4)25-13-9-11-15-27(25)38(29)6;1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;2*1-6-2-4-7(5-3-6)11(8,9)10;2-1(3,4)8(5,6)7;2*2-1(3)4;2-1(3,4)5;;;;/h8-11,13-14,17-30H,12,15-16H2,1-7H3;2*9-18,21-30H,7-8,19-20H2,1-6H3;7-13,15-16,19-30H,14,17-18H2,1-6H3;9-20,23-30H,21-22H2,1-8H3;8-15,18-21H,16-17H2,1-7H3;5-19H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10);(H,5,6,7);;;(H,2,3,4,5);4*1H/q3*+1;+2;3*+1;;;;;;;;;;/p-8.
What are the key properties of bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate?
bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate has a molecular weight of 5256.66 g/mol, XLogP of 59.86, 39 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(2E)-2-[(2E)-2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium);diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;bis(4-methylbenzenesulfonate);2-methylsulfanyl-5-[(5E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]sulfanyl-1,3,4-thiadiazole;bis(trifluoroborane);trifluoromethanesulfonate;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-(4-methylphenoxy)-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;(2E)-1,1,3-trimethyl-2-[(2E)-2-[2-pyridin-1-ium-1-yl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole;chloride;difluoride;iodide;perchlorate is sourced from PubChem (CID 159056227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).