(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate

C239H232BCl8F4I2N9O14S5 — CID 159286103

IUPAC(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate
SMILESC(/C=C1\CCCC(/C=C/c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)=C1c1ccccc1)=C1C=C(c2ccccc2)SC(c2ccccc2)=C1.CCCN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](CCC)c4ccccc4C3(C)C)=C2Sc2ccccc2)C(C)(C)c2ccccc21.CCCN1/C(=C/C=C2\CCCC(/C=C\C3=[N+](CCC)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21.CCN1/C(=C/C=C2\CCC(/C=C/c3sc4ccc(Cl)cc4[n+]3CC)=C2N(c2ccccc2)c2ccccc2)Sc2ccc(Cl)cc21.CN1/C(=C/C=C2\CCCC(/C=C\C3=[N+](C)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21.ClC1=C(/C=C/c2cc(-c3ccccc3)[o+]c3ccccc23)CCC/C1=C\C=C1/C=C(c2ccccc2)Oc2ccccc21.FB(F)F.[F-].[I-].[I-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C50H39S2.C42H49N2S.C40H30ClO2.C39H34Cl2N3S2.C36H44ClN2.C32H36ClN2.BF3.3ClHO4.FH.2HI/c1-6-17-39(18-7-1)46-33-37(34-47(51-46)40-19-8-2-9-20-40)29-31-44-27-16-28-45(50(44)43-25-14-5-15-26-43)32-30-38-35-48(41-21-10-3-11-22-41)52-49(36-38)42-23-12-4-13-24-42;1-7-29-43-36-23-14-12-21-34(36)41(3,4)38(43)27-25-31-17-16-18-32(40(31)45-33-19-10-9-11-20-33)26-28-39-42(5,6)35-22-13-15-24-37(35)44(39)30-8-2;41-40-30(22-24-32-26-38(28-12-3-1-4-13-28)42-36-20-9-7-18-34(32)36)16-11-17-31(40)23-25-33-27-39(29-14-5-2-6-15-29)43-37-21-10-8-19-35(33)37;1-3-42-33-25-29(40)19-21-35(33)45-37(42)23-17-27-15-16-28(18-24-38-43(4-2)34-26-30(41)20-22-36(34)46-38)39(27)44(31-11-7-5-8-12-31)32-13-9-6-10-14-32;1-7-24-38-30-18-11-9-16-28(30)35(3,4)32(38)22-20-26-14-13-15-27(34(26)37)21-23-33-36(5,6)29-17-10-12-19-31(29)39(33)25-8-2;1-31(2)24-14-7-9-16-26(24)34(5)28(31)20-18-22-12-11-13-23(30(22)33)19-21-29-32(3,4)25-15-8-10-17-27(25)35(29)6;2-1(3)4;3*2-1(3,4)5;;;/h1-15,17-26,29-36H,16,27-28H2;9-15,19-28H,7-8,16-18,29-30H2,1-6H3;1-10,12-15,18-27H,11,16-17H2;5-14,17-26H,3-4,15-16H2,1-2H3;9-12,16-23H,7-8,13-15,24-25H2,1-6H3;7-10,14-21H,11-13H2,1-6H3;;3*(H,2,3,4,5);3*1H/q6*+1;;;;;;;/p-6
InChIKeyGRUUASIILSFQMH-UHFFFAOYSA-H
MW4239.10 g/mol
LogP44.81
Rot. Bonds40

About (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate

(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate (PubChem CID 159286103) has the molecular formula C239H232BCl8F4I2N9O14S5 and a molecular weight of 4239.10 g/mol. Its IUPAC name is (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate.

Molecular Properties

Compound Name(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate
PubChem CID159286103
Molecular FormulaC239H232BCl8F4I2N9O14S5
Molecular Weight4239.10 g/mol
Exact Mass4232.19
IUPAC Name(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate
SMILESC(/C=C1\CCCC(/C=C/c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)=C1c1ccccc1)=C1C=C(c2ccccc2)SC(c2ccccc2)=C1.CCCN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](CCC)c4ccccc4C3(C)C)=C2Sc2ccccc2)C(C)(C)c2ccccc21.CCCN1/C(=C/C=C2\CCCC(/C=C\C3=[N+](CCC)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21.CCN1/C(=C/C=C2\CCC(/C=C/c3sc4ccc(Cl)cc4[n+]3CC)=C2N(c2ccccc2)c2ccccc2)Sc2ccc(Cl)cc21.CN1/C(=C/C=C2\CCCC(/C=C\C3=[N+](C)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21.ClC1=C(/C=C/c2cc(-c3ccccc3)[o+]c3ccccc23)CCC/C1=C\C=C1/C=C(c2ccccc2)Oc2ccccc21.FB(F)F.[F-].[I-].[I-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C50H39S2.C42H49N2S.C40H30ClO2.C39H34Cl2N3S2.C36H44ClN2.C32H36ClN2.BF3.3ClHO4.FH.2HI/c1-6-17-39(18-7-1)46-33-37(34-47(51-46)40-19-8-2-9-20-40)29-31-44-27-16-28-45(50(44)43-25-14-5-15-26-43)32-30-38-35-48(41-21-10-3-11-22-41)52-49(36-38)42-23-12-4-13-24-42;1-7-29-43-36-23-14-12-21-34(36)41(3,4)38(43)27-25-31-17-16-18-32(40(31)45-33-19-10-9-11-20-33)26-28-39-42(5,6)35-22-13-15-24-37(35)44(39)30-8-2;41-40-30(22-24-32-26-38(28-12-3-1-4-13-28)42-36-20-9-7-18-34(32)36)16-11-17-31(40)23-25-33-27-39(29-14-5-2-6-15-29)43-37-21-10-8-19-35(33)37;1-3-42-33-25-29(40)19-21-35(33)45-37(42)23-17-27-15-16-28(18-24-38-43(4-2)34-26-30(41)20-22-36(34)46-38)39(27)44(31-11-7-5-8-12-31)32-13-9-6-10-14-32;1-7-24-38-30-18-11-9-16-28(30)35(3,4)32(38)22-20-26-14-13-15-27(34(26)37)21-23-33-36(5,6)29-17-10-12-19-31(29)39(33)25-8-2;1-31(2)24-14-7-9-16-26(24)34(5)28(31)20-18-22-12-11-13-23(30(22)33)19-21-29-32(3,4)25-15-8-10-17-27(25)35(29)6;2-1(3)4;3*2-1(3,4)5;;;/h1-15,17-26,29-36H,16,27-28H2;9-15,19-28H,7-8,16-18,29-30H2,1-6H3;1-10,12-15,18-27H,11,16-17H2;5-14,17-26H,3-4,15-16H2,1-2H3;9-12,16-23H,7-8,13-15,24-25H2,1-6H3;7-10,14-21H,11-13H2,1-6H3;;3*(H,2,3,4,5);3*1H/q6*+1;;;;;;;/p-6
InChIKeyGRUUASIILSFQMH-UHFFFAOYSA-H
XLogP44.81
TPSA326.36 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds40
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004239.10
LogP ≤ 544.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate with MolForge

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Related Compounds

CID 157276431
CID 157276431
(2Z)-3-butyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;4-[(E)-2-[(3E)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;N-[2-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;8-[(1E,3E,5E)-5-(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoselenazole;bis(1-ethyl-4-[3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline);1-ethyl-2-[3-(1-ethyl-2H-quinolin-2-yl)prop-1-enyl]quinolin-1-ium;octakis(tritide)
CID 157331367
CID 157841908
CID 157841908
CID 158276727
CID 158276727
CID 158329570
CID 158329570
CID 158339752
CID 158339752
CID 158844501
CID 158844501
(2Z)-3-butyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;N-[2-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;8-[(1E,3E,5E)-5-(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoselenazole;3-(3-phenoxypropyl)-2-[3-[3-(3-phenoxypropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazole;pentakis(tritide)
CID 159130915
(2Z)-3-butyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;4-[(E)-2-[(3E)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;N-[2-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;8-[(1E,3E,5E)-5-(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoselenazole;3-(3-phenoxypropyl)-2-[3-[3-(3-phenoxypropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazole;hexakis(tritide)
CID 159147937
CID 159276778
CID 159276778
2-[2-[1-benzhydryl-5-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-3,4-dihydropyrrol-1-ium-2-ylidene]ethylidene]-5-chloro-3-ethyl-1,3-benzothiazole;(2Z)-3-butyl-2-[[(3E)-3-[(E)-3-[(3E)-3-[(3-butyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]prop-2-enylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;4-[(E)-2-[(3E)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;8-[(1E,3E,5E)-5-(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)penta-1,3-dienyl]-2,4-diphenyl-6,7-dihydro-5H-chromene;3-ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoselenazole;1-ethyl-4-[3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline;hexakis(tritide)
CID 159306590
CID 159879992
CID 159879992

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate?
The IUPAC name of (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate (CID 159286103) is (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate.
What is the SMILES notation for (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate?
The canonical SMILES for (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate is C(/C=C1\CCCC(/C=C/c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)=C1c1ccccc1)=C1C=C(c2ccccc2)SC(c2ccccc2)=C1.CCCN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](CCC)c4ccccc4C3(C)C)=C2Sc2ccccc2)C(C)(C)c2ccccc21.CCCN1/C(=C/C=C2\CCCC(/C=C\C3=[N+](CCC)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21.CCN1/C(=C/C=C2\CCC(/C=C/c3sc4ccc(Cl)cc4[n+]3CC)=C2N(c2ccccc2)c2ccccc2)Sc2ccc(Cl)cc21.CN1/C(=C/C=C2\CCCC(/C=C\C3=[N+](C)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21.ClC1=C(/C=C/c2cc(-c3ccccc3)[o+]c3ccccc23)CCC/C1=C\C=C1/C=C(c2ccccc2)Oc2ccccc21.FB(F)F.[F-].[I-].[I-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate?
The InChIKey is GRUUASIILSFQMH-UHFFFAOYSA-H. The full InChI is InChI=1S/C50H39S2.C42H49N2S.C40H30ClO2.C39H34Cl2N3S2.C36H44ClN2.C32H36ClN2.BF3.3ClHO4.FH.2HI/c1-6-17-39(18-7-1)46-33-37(34-47(51-46)40-19-8-2-9-20-40)29-31-44-27-16-28-45(50(44)43-25-14-5-15-26-43)32-30-38-35-48(41-21-10-3-11-22-41)52-49(36-38)42-23-12-4-13-24-42;1-7-29-43-36-23-14-12-21-34(36)41(3,4)38(43)27-25-31-17-16-18-32(40(31)45-33-19-10-9-11-20-33)26-28-39-42(5,6)35-22-13-15-24-37(35)44(39)30-8-2;41-40-30(22-24-32-26-38(28-12-3-1-4-13-28)42-36-20-9-7-18-34(32)36)16-11-17-31(40)23-25-33-27-39(29-14-5-2-6-15-29)43-37-21-10-8-19-35(33)37;1-3-42-33-25-29(40)19-21-35(33)45-37(42)23-17-27-15-16-28(18-24-38-43(4-2)34-26-30(41)20-22-36(34)46-38)39(27)44(31-11-7-5-8-12-31)32-13-9-6-10-14-32;1-7-24-38-30-18-11-9-16-28(30)35(3,4)32(38)22-20-26-14-13-15-27(34(26)37)21-23-33-36(5,6)29-17-10-12-19-31(29)39(33)25-8-2;1-31(2)24-14-7-9-16-26(24)34(5)28(31)20-18-22-12-11-13-23(30(22)33)19-21-29-32(3,4)25-15-8-10-17-27(25)35(29)6;2-1(3)4;3*2-1(3,4)5;;;/h1-15,17-26,29-36H,16,27-28H2;9-15,19-28H,7-8,16-18,29-30H2,1-6H3;1-10,12-15,18-27H,11,16-17H2;5-14,17-26H,3-4,15-16H2,1-2H3;9-12,16-23H,7-8,13-15,24-25H2,1-6H3;7-10,14-21H,11-13H2,1-6H3;;3*(H,2,3,4,5);3*1H/q6*+1;;;;;;;/p-6.
What are the key properties of (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate?
(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate has a molecular weight of 4239.10 g/mol, XLogP of 44.81, 40 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;4-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(2-phenylchromen-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-phenylchromenylium;(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(2E)-2-[3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;4-[(E)-2-[(3E)-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]-2-phenylcyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium;trifluoroborane;fluoride;diiodide;triperchlorate is sourced from PubChem (CID 159286103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).