About bis(4-chlorophenyl)-[4-[(5E)-2-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,2Z,4E,6E)-7-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-1-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-2,4,6-trien-2-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,3Z,5E,7E)-1-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]oxyphenyl]sulfanium;[4-[(5E)-2-[(E)-2-(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]-diphenylsulfanium;tetrakis(pentafluoro-λ5-phosphane);tetrakis(tetrafluorophosphanium);octafluoride;tetrahydrofluoride
bis(4-chlorophenyl)-[4-[(5E)-2-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,2Z,4E,6E)-7-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-1-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-2,4,6-trien-2-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,3Z,5E,7E)-1-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]oxyphenyl]sulfanium;[4-[(5E)-2-[(E)-2-(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]-diphenylsulfanium;tetrakis(pentafluoro-λ5-phosphane);tetrakis(tetrafluorophosphanium);octafluoride;tetrahydrofluoride (PubChem CID 158225298) has the molecular formula C194H190Cl6F48N8O6P8S6+4
and a molecular weight of 4294.52 g/mol. Its IUPAC name is bis(4-chlorophenyl)-[4-[(5E)-2-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,2Z,4E,6E)-7-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-1-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-2,4,6-trien-2-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,3Z,5E,7E)-1-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]oxyphenyl]sulfanium;[4-[(5E)-2-[(E)-2-(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]-diphenylsulfanium;tetrakis(pentafluoro-λ5-phosphane);tetrakis(tetrafluorophosphanium);octafluoride;tetrahydrofluoride.
Frequently Asked Questions
What is the IUPAC name of bis(4-chlorophenyl)-[4-[(5E)-2-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,2Z,4E,6E)-7-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-1-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-2,4,6-trien-2-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,3Z,5E,7E)-1-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]oxyphenyl]sulfanium;[4-[(5E)-2-[(E)-2-(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]-diphenylsulfanium;tetrakis(pentafluoro-λ5-phosphane);tetrakis(tetrafluorophosphanium);octafluoride;tetrahydrofluoride?
The IUPAC name of bis(4-chlorophenyl)-[4-[(5E)-2-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,2Z,4E,6E)-7-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-1-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-2,4,6-trien-2-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,3Z,5E,7E)-1-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]oxyphenyl]sulfanium;[4-[(5E)-2-[(E)-2-(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]-diphenylsulfanium;tetrakis(pentafluoro-λ5-phosphane);tetrakis(tetrafluorophosphanium);octafluoride;tetrahydrofluoride (CID 158225298) is bis(4-chlorophenyl)-[4-[(5E)-2-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,2Z,4E,6E)-7-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-1-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-2,4,6-trien-2-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,3Z,5E,7E)-1-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]oxyphenyl]sulfanium;[4-[(5E)-2-[(E)-2-(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]-diphenylsulfanium;tetrakis(pentafluoro-λ5-phosphane);tetrakis(tetrafluorophosphanium);octafluoride;tetrahydrofluoride.
What is the SMILES notation for bis(4-chlorophenyl)-[4-[(5E)-2-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,2Z,4E,6E)-7-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-1-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-2,4,6-trien-2-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,3Z,5E,7E)-1-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]oxyphenyl]sulfanium;[4-[(5E)-2-[(E)-2-(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]-diphenylsulfanium;tetrakis(pentafluoro-λ5-phosphane);tetrakis(tetrafluorophosphanium);octafluoride;tetrahydrofluoride?
The canonical SMILES for bis(4-chlorophenyl)-[4-[(5E)-2-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,2Z,4E,6E)-7-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-1-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-2,4,6-trien-2-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,3Z,5E,7E)-1-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]oxyphenyl]sulfanium;[4-[(5E)-2-[(E)-2-(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]-diphenylsulfanium;tetrakis(pentafluoro-λ5-phosphane);tetrakis(tetrafluorophosphanium);octafluoride;tetrahydrofluoride is CCN1/C(=C/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(C)cc3C2(C)C)Oc2ccc([S+](c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)C(C)(C)c2cc(C)ccc21.CCN1/C(=C/C=C/C(=C/C=C/C2=[N+](CC)c3ccc(C)cc3C2(C)C)Oc2ccc([S+](c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)C(C)(C)c2cc(C)ccc21.CCN1/C(=C/C=C2\CCC(/C=C/c3oc4ccccc4[n+]3CC)=C2Oc2ccc([S+](c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)Oc2ccccc21.CCN1/C(=C/C=C2\CCC(/C=C/c3sc4cc(C)ccc4[n+]3CC)=C2Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)Sc2cc(C)ccc21.F.F.F.F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.F[P+](F)(F)F.F[P+](F)(F)F.F[P+](F)(F)F.F[P+](F)(F)F.[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].
What is the InChIKey of bis(4-chlorophenyl)-[4-[(5E)-2-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,2Z,4E,6E)-7-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-1-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-2,4,6-trien-2-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,3Z,5E,7E)-1-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]oxyphenyl]sulfanium;[4-[(5E)-2-[(E)-2-(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]-diphenylsulfanium;tetrakis(pentafluoro-λ5-phosphane);tetrakis(tetrafluorophosphanium);octafluoride;tetrahydrofluoride?
The InChIKey is WKSZKUQEAJWRLA-UHFFFAOYSA-F. The full InChI is InChI=1S/2C51H52Cl2N2OS.C47H44N2OS3.C45H38Cl2N2O3S.4F5P.4F4P.12FH/c1-9-54-46-31-17-35(3)33-44(46)50(5,6)48(54)15-11-13-39(14-12-16-49-51(7,8)45-34-36(4)18-32-47(45)55(49)10-2)56-40-23-29-43(30-24-40)57(41-25-19-37(52)20-26-41)42-27-21-38(53)22-28-42;1-9-54-46-30-16-35(3)32-44(46)50(5,6)48(54)15-13-11-12-14-40(34-49-51(7,8)45-33-36(4)17-31-47(45)55(49)10-2)56-39-22-28-43(29-23-39)57(41-24-18-37(52)19-25-41)42-26-20-38(53)21-27-42;1-5-48-41-27-17-33(3)31-43(41)51-45(48)29-21-35-19-20-36(22-30-46-49(6-2)42-28-18-34(4)32-44(42)52-46)47(35)50-37-23-25-40(26-24-37)53(38-13-9-7-10-14-38)39-15-11-8-12-16-39;1-3-48-39-9-5-7-11-41(39)51-43(48)29-15-31-13-14-32(16-30-44-49(4-2)40-10-6-8-12-42(40)52-44)45(31)50-35-21-27-38(28-22-35)53(36-23-17-33(46)18-24-36)37-25-19-34(47)20-26-37;4*1-6(2,3,4)5;4*1-5(2,3)4;;;;;;;;;;;;/h2*11-34H,9-10H2,1-8H3;7-18,21-32H,5-6,19-20H2,1-4H3;5-12,15-30H,3-4,13-14H2,1-2H3;;;;;;;;;12*1H/q4*+2;;;;;4*+1;;;;;;;;;;;;/p-8.
What are the key properties of bis(4-chlorophenyl)-[4-[(5E)-2-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,2Z,4E,6E)-7-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-1-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-2,4,6-trien-2-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,3Z,5E,7E)-1-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]oxyphenyl]sulfanium;[4-[(5E)-2-[(E)-2-(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]-diphenylsulfanium;tetrakis(pentafluoro-λ5-phosphane);tetrakis(tetrafluorophosphanium);octafluoride;tetrahydrofluoride?
bis(4-chlorophenyl)-[4-[(5E)-2-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,2Z,4E,6E)-7-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-1-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-2,4,6-trien-2-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,3Z,5E,7E)-1-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]oxyphenyl]sulfanium;[4-[(5E)-2-[(E)-2-(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]-diphenylsulfanium;tetrakis(pentafluoro-λ5-phosphane);tetrakis(tetrafluorophosphanium);octafluoride;tetrahydrofluoride has a molecular weight of 4294.52 g/mol, XLogP of 50.85, 42 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)-[4-[(5E)-2-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,2Z,4E,6E)-7-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-1-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-2,4,6-trien-2-yl]oxyphenyl]sulfanium;bis(4-chlorophenyl)-[4-[(1E,3Z,5E,7E)-1-(1-ethyl-3,3,5-trimethylindol-1-ium-2-yl)-7-(1-ethyl-3,3,5-trimethylindol-2-ylidene)hepta-1,3,5-trien-4-yl]oxyphenyl]sulfanium;[4-[(5E)-2-[(E)-2-(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]oxyphenyl]-diphenylsulfanium;tetrakis(pentafluoro-λ5-phosphane);tetrakis(tetrafluorophosphanium);octafluoride;tetrahydrofluoride is sourced from PubChem (CID 158225298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).