[(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate

C287H263F18N47O44Ru6S2Si2 — CID 158256529

IUPAC[(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate
SMILESCCCCCCOc1cccc(C)c1-c1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2c(CO)cccc2OC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2cc(-c3ccc(OCCCCCC)cc3C)c(-c3ccc(OCCCCCC)cc3C)s2)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2cc(C)c(-c3c(C)cccc3OCCCCCC)c(OCCCCCC)c2)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2cccc([Si](C)(C)C)c2)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2ccccc2O[Si](CCCC)(CCCC)CCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C43H48F3N5O2S.C39H46F3N5O2.C31H40F3N5OSi.C22H22F3N5Si.C22H23F3N3O.C21H18F3N5O2.6C16H11N3O2.CNS.12CO2.6Ru/c1-6-8-10-12-18-52-31-14-16-33(27(3)20-31)35-25-40(54-42(35)34-17-15-32(21-28(34)4)53-19-13-11-9-7-2)30-23-37(36(48)22-29(5)47)49-38(24-30)39-26-41(51-50-39)43(44,45)46;1-6-8-10-12-17-48-34-16-14-15-25(3)37(34)38-26(4)19-28(23-35(38)49-18-13-11-9-7-2)29-21-31(30(44)20-27(5)43)45-32(22-29)33-24-36(47-46-33)39(40,41)42;1-5-8-15-41(16-9-6-2,17-10-7-3)40-29-14-12-11-13-24(29)23-19-26(25(36)18-22(4)35)37-27(20-23)28-21-30(39-38-28)31(32,33)34;1-13(26)8-17(27)18-10-15(14-6-5-7-16(9-14)31(2,3)4)11-19(28-18)20-12-21(30-29-20)22(23,24)25;1-3-4-5-6-12-29-19-9-7-8-15(2)21(19)16-10-11-17(26-14-16)18-13-20(28-27-18)22(23,24)25;1-11(25)6-14(26)15-7-13(20-12(10-30)4-3-5-18(20)31-2)8-16(27-15)17-9-19(29-28-17)21(22,23)24;6*20-16(21)11-7-9-18-15(10-11)14-6-3-5-13(19-14)12-4-1-2-8-17-12;13*2-1-3;;;;;;/h14-17,20-26,47-48H,6-13,18-19H2,1-5H3;14-16,19-24,43-44H,6-13,17-18H2,1-5H3;11-14,18-21,35-36H,5-10,15-17H2,1-4H3;5-12,26-27H,1-4H3;7-11,13-14H,3-6,12H2,1-2H3;3-9,25-26,30H,10H2,1-2H3;6*1-10H,(H,20,21);;;;;;;;;;;;;;;;;;;/q4*-2;-1;-2;;;;;;;-1;;;;;;;;;;;;;6*+2/b36-22-,47-29-;30-20-,43-27-;25-18-,35-22-;17-8-,26-13-;;14-6-,25-11-;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyGHIUGOXPQPDXLA-JFYYNDEKSA-N
MW6143.24 g/mol
LogP62.12
Rot. Bonds87

About [(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate

[(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate (PubChem CID 158256529) has the molecular formula C287H263F18N47O44Ru6S2Si2 and a molecular weight of 6143.24 g/mol. Its IUPAC name is [(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate.

Molecular Properties

Compound Name[(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate
PubChem CID158256529
Molecular FormulaC287H263F18N47O44Ru6S2Si2
Molecular Weight6143.24 g/mol
Exact Mass6144.27
IUPAC Name[(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate
SMILESCCCCCCOc1cccc(C)c1-c1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2c(CO)cccc2OC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2cc(-c3ccc(OCCCCCC)cc3C)c(-c3ccc(OCCCCCC)cc3C)s2)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2cc(C)c(-c3c(C)cccc3OCCCCCC)c(OCCCCCC)c2)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2cccc([Si](C)(C)C)c2)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2ccccc2O[Si](CCCC)(CCCC)CCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/C43H48F3N5O2S.C39H46F3N5O2.C31H40F3N5OSi.C22H22F3N5Si.C22H23F3N3O.C21H18F3N5O2.6C16H11N3O2.CNS.12CO2.6Ru/c1-6-8-10-12-18-52-31-14-16-33(27(3)20-31)35-25-40(54-42(35)34-17-15-32(21-28(34)4)53-19-13-11-9-7-2)30-23-37(36(48)22-29(5)47)49-38(24-30)39-26-41(51-50-39)43(44,45)46;1-6-8-10-12-17-48-34-16-14-15-25(3)37(34)38-26(4)19-28(23-35(38)49-18-13-11-9-7-2)29-21-31(30(44)20-27(5)43)45-32(22-29)33-24-36(47-46-33)39(40,41)42;1-5-8-15-41(16-9-6-2,17-10-7-3)40-29-14-12-11-13-24(29)23-19-26(25(36)18-22(4)35)37-27(20-23)28-21-30(39-38-28)31(32,33)34;1-13(26)8-17(27)18-10-15(14-6-5-7-16(9-14)31(2,3)4)11-19(28-18)20-12-21(30-29-20)22(23,24)25;1-3-4-5-6-12-29-19-9-7-8-15(2)21(19)16-10-11-17(26-14-16)18-13-20(28-27-18)22(23,24)25;1-11(25)6-14(26)15-7-13(20-12(10-30)4-3-5-18(20)31-2)8-16(27-15)17-9-19(29-28-17)21(22,23)24;6*20-16(21)11-7-9-18-15(10-11)14-6-3-5-13(19-14)12-4-1-2-8-17-12;13*2-1-3;;;;;;/h14-17,20-26,47-48H,6-13,18-19H2,1-5H3;14-16,19-24,43-44H,6-13,17-18H2,1-5H3;11-14,18-21,35-36H,5-10,15-17H2,1-4H3;5-12,26-27H,1-4H3;7-11,13-14H,3-6,12H2,1-2H3;3-9,25-26,30H,10H2,1-2H3;6*1-10H,(H,20,21);;;;;;;;;;;;;;;;;;;/q4*-2;-1;-2;;;;;;;-1;;;;;;;;;;;;;6*+2/b36-22-,47-29-;30-20-,43-27-;25-18-,35-22-;17-8-,26-13-;;14-6-,25-11-;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyGHIUGOXPQPDXLA-JFYYNDEKSA-N
XLogP62.12
TPSA1450.17 Ų
H-Bond Donors12
H-Bond Acceptors75
Rotatable Bonds87
Heavy Atoms406
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006143.24
LogP ≤ 562.12
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1075

Analyze [(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate with MolForge

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Launch Full Analysis

Related Compounds

4-[(E)-2-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+);isothiocyanate
CID 140648732
2-[4-Formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;5-(5-propoxythiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140822265
2,6-Bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;5-(7-octyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 145155790
2,6-Bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;5-(4-octoxythiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 145155801
2,6-Bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;5-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 145155851
2,6-Bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
CID 145639309
hexakis(carbon dioxide);[(Z)-1-[4-(2,4-dihexoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;4-(3,6-dihexylthieno[2,3-f][1]benzothiol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluoro-2-pyridinyl)-6-pyridin-2-ylpyridine;bis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(5,9,10-trihexyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyridine;diisothiocyanate
CID 157742411
hexakis(carbon dioxide);4-(5-hept-1-ynylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[5-(trifluoromethyl)-1,5-dihydropyrazol-2-id-3-yl]pyridine;tris(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));triisothiocyanate
CID 157947253
hexadecakis(carbon dioxide);pentakis([(Z)-1-[4-(2-hexoxy-6-methylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-3-imino-1-[4-[3-pentadecyl-5-(3-pentadecylthiophen-2-yl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[4-(3-pentadecyl-5-thiophen-2-ylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;4-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(5-methylsulfonyl-2-pyridinyl)-6-pyridin-2-ylpyridine;2-(5-nitro-2-pyridinyl)-6-pyridin-2-ylpyridine;6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carbonitrile;tris(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]ethanone;2-pyridin-2-yl-6-[5-(trifluoromethyl)-2-pyridinyl]pyridine;octakis(ruthenium(2+));isothiocyanate
CID 157968228
hexakis(carbon dioxide);4-[(E)-2-(3,5-dihexylthiophen-2-yl)ethenyl]-2-[3-(3,5-dihexylthiophen-2-yl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-(2,6-diphenoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;tris(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tris(ruthenium(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(2,3,6-trihexylthieno[3,2-b]thiophen-5-yl)pyridine;diisothiocyanate
CID 157980083
4-(7-butyl-3-hexyl-2-benzothiophen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;octakis(carbon dioxide);[(Z)-1-[4-(2,4-dihexoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(2-ethylhexoxy)-2-(2-ethylpentoxy)phenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-1-[4-(2-hexoxy-6-pentoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;2-(6-pyridin-2-yl-2-pyridinyl)pyrazine;tris(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tetrakis(ruthenium(2+));isothiocyanate
CID 157992714
octakis(carbon dioxide);4-[(E)-2-[5-(2,4-dimethoxyphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(5-ethylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-hept-1-enyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);tetrakis(ruthenium(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetraisothiocyanate
CID 158195245

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate?
The IUPAC name of [(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate (CID 158256529) is [(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate.
What is the SMILES notation for [(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate?
The canonical SMILES for [(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate is CCCCCCOc1cccc(C)c1-c1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C(O)c1ccnc(-c2cccc(-c3ccccn3)n2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2c(CO)cccc2OC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2cc(-c3ccc(OCCCCCC)cc3C)c(-c3ccc(OCCCCCC)cc3C)s2)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2cc(C)c(-c3c(C)cccc3OCCCCCC)c(OCCCCCC)c2)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2cccc([Si](C)(C)C)c2)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[H]/N=C(C)\C=C(/[NH-])c1cc(-c2ccccc2O[Si](CCCC)(CCCC)CCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of [(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate?
The InChIKey is GHIUGOXPQPDXLA-JFYYNDEKSA-N. The full InChI is InChI=1S/C43H48F3N5O2S.C39H46F3N5O2.C31H40F3N5OSi.C22H22F3N5Si.C22H23F3N3O.C21H18F3N5O2.6C16H11N3O2.CNS.12CO2.6Ru/c1-6-8-10-12-18-52-31-14-16-33(27(3)20-31)35-25-40(54-42(35)34-17-15-32(21-28(34)4)53-19-13-11-9-7-2)30-23-37(36(48)22-29(5)47)49-38(24-30)39-26-41(51-50-39)43(44,45)46;1-6-8-10-12-17-48-34-16-14-15-25(3)37(34)38-26(4)19-28(23-35(38)49-18-13-11-9-7-2)29-21-31(30(44)20-27(5)43)45-32(22-29)33-24-36(47-46-33)39(40,41)42;1-5-8-15-41(16-9-6-2,17-10-7-3)40-29-14-12-11-13-24(29)23-19-26(25(36)18-22(4)35)37-27(20-23)28-21-30(39-38-28)31(32,33)34;1-13(26)8-17(27)18-10-15(14-6-5-7-16(9-14)31(2,3)4)11-19(28-18)20-12-21(30-29-20)22(23,24)25;1-3-4-5-6-12-29-19-9-7-8-15(2)21(19)16-10-11-17(26-14-16)18-13-20(28-27-18)22(23,24)25;1-11(25)6-14(26)15-7-13(20-12(10-30)4-3-5-18(20)31-2)8-16(27-15)17-9-19(29-28-17)21(22,23)24;6*20-16(21)11-7-9-18-15(10-11)14-6-3-5-13(19-14)12-4-1-2-8-17-12;13*2-1-3;;;;;;/h14-17,20-26,47-48H,6-13,18-19H2,1-5H3;14-16,19-24,43-44H,6-13,17-18H2,1-5H3;11-14,18-21,35-36H,5-10,15-17H2,1-4H3;5-12,26-27H,1-4H3;7-11,13-14H,3-6,12H2,1-2H3;3-9,25-26,30H,10H2,1-2H3;6*1-10H,(H,20,21);;;;;;;;;;;;;;;;;;;/q4*-2;-1;-2;;;;;;;-1;;;;;;;;;;;;;6*+2/b36-22-,47-29-;30-20-,43-27-;25-18-,35-22-;17-8-,26-13-;;14-6-,25-11-;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of [(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate?
[(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate has a molecular weight of 6143.24 g/mol, XLogP of 62.12, 87 rotatable bonds, 12 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[4-[4,5-bis(4-hexoxy-2-methylphenyl)thiophen-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;dodecakis(carbon dioxide);[(Z)-1-[4-[3-hexoxy-4-(2-hexoxy-6-methylphenyl)-5-methylphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;5-(2-hexoxy-6-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(Z)-1-[4-[2-(hydroxymethyl)-6-methoxyphenyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;[(Z)-3-imino-1-[4-(2-tributylsilyloxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]but-1-enyl]azanide;[(Z)-3-imino-1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-(3-trimethylsilylphenyl)-2-pyridinyl]but-1-enyl]azanide;hexakis(2-(6-pyridin-2-yl-2-pyridinyl)pyridine-4-carboxylic acid);hexakis(ruthenium(2+));isothiocyanate is sourced from PubChem (CID 158256529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).