bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate

C296H313B3Br2Cl7F15IN21O14S2Se2 — CID 159794279

IUPACbis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate
SMILESCCN1/C(=C/C=C/C=C/C=C/c2[se]c3ccccc3[n+]2CC)[Se]c2ccccc21.CCN1C(=CC=C2CC/C(=C\C=C3\N(CC)c4ccc(C)cc4C3(C)C)C2=[N+](c2ccc(Br)cc2)c2ccc(Br)cc2)C(C)(C)c2cc(C)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.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.CN1C(=CC=C2CC/C(=C\C=C3\N(C)c4ncccc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cccnc21.COCCN1C(=CC=C2CCCC(C=CC3=[N+](CCOC)c4c(C)cc(OC)cc4C3(C)C)=C2Cl)C(C)(C)c2cc(OC)cc(C)c21.Cc1ccc(S(=O)(=O)[O-])cc1.FB(F)F.FB(F)F.FB(F)F.O=S(=O)([O-])C(F)(F)F.[Cl-].[F-].[F-].[F-].[I-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C47H50Br2N3.2C45H46Cl2N3.C45H45N3.C41H42N5.C40H52ClN2O4.C25H25N2Se2.C7H8O3S.CHF3O3S.3BF3.ClHO4.ClH.3FH.HI/c1-9-50-41-25-11-31(3)29-39(41)46(5,6)43(50)27-15-33-13-14-34(16-28-44-47(7,8)40-30-32(4)12-26-42(40)51(44)10-2)45(33)52(37-21-17-35(48)18-22-37)38-23-19-36(49)20-24-38;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;1-40(2)33-19-13-27-42-38(33)44(5)35(40)25-23-29-21-22-30(24-26-36-41(3,4)34-20-14-28-43-39(34)45(36)6)37(29)46(31-15-9-7-10-16-31)32-17-11-8-12-18-32;1-26-22-30(46-9)24-32-37(26)42(18-20-44-7)34(39(32,3)4)16-14-28-12-11-13-29(36(28)41)15-17-35-40(5,6)33-25-31(47-10)23-27(2)38(33)43(35)19-21-45-8;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;1-6-2-4-7(5-3-6)11(8,9)10;2-1(3,4)8(5,6)7;3*2-1(3)4;2-1(3,4)5;;;;;/h11-12,15-30H,9-10,13-14H2,1-8H3;2*9-18,21-30H,7-8,19-20H2,1-6H3;7-13,15-16,19-30H,14,17-18H2,1-6H3;7-20,23-28H,21-22H2,1-6H3;14-17,22-25H,11-13,18-21H2,1-10H3;5-19H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10);(H,5,6,7);;;;(H,2,3,4,5);5*1H/q3*+1;+2;3*+1;;;;;;;;;;;/p-8
InChIKeyIXYYJCDVRASYJO-UHFFFAOYSA-F
MW5463.24 g/mol
LogP53.71
Rot. Bonds44

About bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate

bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate (PubChem CID 159794279) has the molecular formula C296H313B3Br2Cl7F15IN21O14S2Se2 and a molecular weight of 5463.24 g/mol. Its IUPAC name is bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate.

Molecular Properties

Compound Namebis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate
PubChem CID159794279
Molecular FormulaC296H313B3Br2Cl7F15IN21O14S2Se2
Molecular Weight5463.24 g/mol
Exact Mass5456.75
IUPAC Namebis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate
SMILESCCN1/C(=C/C=C/C=C/C=C/c2[se]c3ccccc3[n+]2CC)[Se]c2ccccc21.CCN1C(=CC=C2CC/C(=C\C=C3\N(CC)c4ccc(C)cc4C3(C)C)C2=[N+](c2ccc(Br)cc2)c2ccc(Br)cc2)C(C)(C)c2cc(C)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.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.CN1C(=CC=C2CC/C(=C\C=C3\N(C)c4ncccc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cccnc21.COCCN1C(=CC=C2CCCC(C=CC3=[N+](CCOC)c4c(C)cc(OC)cc4C3(C)C)=C2Cl)C(C)(C)c2cc(OC)cc(C)c21.Cc1ccc(S(=O)(=O)[O-])cc1.FB(F)F.FB(F)F.FB(F)F.O=S(=O)([O-])C(F)(F)F.[Cl-].[F-].[F-].[F-].[I-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C47H50Br2N3.2C45H46Cl2N3.C45H45N3.C41H42N5.C40H52ClN2O4.C25H25N2Se2.C7H8O3S.CHF3O3S.3BF3.ClHO4.ClH.3FH.HI/c1-9-50-41-25-11-31(3)29-39(41)46(5,6)43(50)27-15-33-13-14-34(16-28-44-47(7,8)40-30-32(4)12-26-42(40)51(44)10-2)45(33)52(37-21-17-35(48)18-22-37)38-23-19-36(49)20-24-38;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;1-40(2)33-19-13-27-42-38(33)44(5)35(40)25-23-29-21-22-30(24-26-36-41(3,4)34-20-14-28-43-39(34)45(36)6)37(29)46(31-15-9-7-10-16-31)32-17-11-8-12-18-32;1-26-22-30(46-9)24-32-37(26)42(18-20-44-7)34(39(32,3)4)16-14-28-12-11-13-29(36(28)41)15-17-35-40(5,6)33-25-31(47-10)23-27(2)38(33)43(35)19-21-45-8;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;1-6-2-4-7(5-3-6)11(8,9)10;2-1(3,4)8(5,6)7;3*2-1(3)4;2-1(3,4)5;;;;;/h11-12,15-30H,9-10,13-14H2,1-8H3;2*9-18,21-30H,7-8,19-20H2,1-6H3;7-13,15-16,19-30H,14,17-18H2,1-6H3;7-20,23-28H,21-22H2,1-6H3;14-17,22-25H,11-13,18-21H2,1-10H3;5-19H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10);(H,5,6,7);;;;(H,2,3,4,5);5*1H/q3*+1;+2;3*+1;;;;;;;;;;;/p-8
InChIKeyIXYYJCDVRASYJO-UHFFFAOYSA-F
XLogP53.71
TPSA330.80 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds44
Heavy Atoms363
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005463.24
LogP ≤ 553.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate with MolForge

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What is the IUPAC name of bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate?
The IUPAC name of bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate (CID 159794279) is bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate.
What is the SMILES notation for bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate?
The canonical SMILES for bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate is CCN1/C(=C/C=C/C=C/C=C/c2[se]c3ccccc3[n+]2CC)[Se]c2ccccc21.CCN1C(=CC=C2CC/C(=C\C=C3\N(CC)c4ccc(C)cc4C3(C)C)C2=[N+](c2ccc(Br)cc2)c2ccc(Br)cc2)C(C)(C)c2cc(C)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.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.CN1C(=CC=C2CC/C(=C\C=C3\N(C)c4ncccc4C3(C)C)C2=[N+](c2ccccc2)c2ccccc2)C(C)(C)c2cccnc21.COCCN1C(=CC=C2CCCC(C=CC3=[N+](CCOC)c4c(C)cc(OC)cc4C3(C)C)=C2Cl)C(C)(C)c2cc(OC)cc(C)c21.Cc1ccc(S(=O)(=O)[O-])cc1.FB(F)F.FB(F)F.FB(F)F.O=S(=O)([O-])C(F)(F)F.[Cl-].[F-].[F-].[F-].[I-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate?
The InChIKey is IXYYJCDVRASYJO-UHFFFAOYSA-F. The full InChI is InChI=1S/C47H50Br2N3.2C45H46Cl2N3.C45H45N3.C41H42N5.C40H52ClN2O4.C25H25N2Se2.C7H8O3S.CHF3O3S.3BF3.ClHO4.ClH.3FH.HI/c1-9-50-41-25-11-31(3)29-39(41)46(5,6)43(50)27-15-33-13-14-34(16-28-44-47(7,8)40-30-32(4)12-26-42(40)51(44)10-2)45(33)52(37-21-17-35(48)18-22-37)38-23-19-36(49)20-24-38;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;1-40(2)33-19-13-27-42-38(33)44(5)35(40)25-23-29-21-22-30(24-26-36-41(3,4)34-20-14-28-43-39(34)45(36)6)37(29)46(31-15-9-7-10-16-31)32-17-11-8-12-18-32;1-26-22-30(46-9)24-32-37(26)42(18-20-44-7)34(39(32,3)4)16-14-28-12-11-13-29(36(28)41)15-17-35-40(5,6)33-25-31(47-10)23-27(2)38(33)43(35)19-21-45-8;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;1-6-2-4-7(5-3-6)11(8,9)10;2-1(3,4)8(5,6)7;3*2-1(3)4;2-1(3,4)5;;;;;/h11-12,15-30H,9-10,13-14H2,1-8H3;2*9-18,21-30H,7-8,19-20H2,1-6H3;7-13,15-16,19-30H,14,17-18H2,1-6H3;7-20,23-28H,21-22H2,1-6H3;14-17,22-25H,11-13,18-21H2,1-10H3;5-19H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10);(H,5,6,7);;;;(H,2,3,4,5);5*1H/q3*+1;+2;3*+1;;;;;;;;;;;/p-8.
What are the key properties of bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate?
bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate has a molecular weight of 5463.24 g/mol, XLogP of 53.71, 44 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromophenyl)-[(5E)-2-[2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1-ethyl-3,3,5-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium;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);2-[2-[2-chloro-3-[2-[5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-5-methoxy-1-(2-methoxyethyl)-3,3,7-trimethylindole;diphenyl-[(5E)-2-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-ylidene)ethylidene]cyclopentylidene]azanium;(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzoselenazole;4-methylbenzenesulfonate;tris(trifluoroborane);trifluoromethanesulfonate;(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;trifluoride;iodide;perchlorate is sourced from PubChem (CID 159794279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).