[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate

C263H205F30N47O36Ru6S18 — CID 158748460

IUPAC[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate
SMILESCCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C)cc2C(F)(F)F)n1.O=CO/C=C(/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C(=C/OC=O)C(F)(F)F)ccn3)n2)c1)C(F)(F)F.O=CO/C=C(/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C(=C/OC=O)C(F)(F)F)ccn3)n2)c1)C(F)(F)F.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=COc1cc(-c2cc3nc(C(=O)O)sc3cn2)nc(-c2cc3nc(C(=O)O)sc3cn2)c1.O=COc1cc(-c2cc3nc(C(=O)O)sc3cn2)nc(-c2cc3nc(C(=O)O)sc3cn2)c1.O=COc1cc(-c2nccc3nc(OC=O)sc23)nc(-c2nccc3nc(OC=O)sc23)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/2C26H15F6N3O6.C24H17N3O6.C22H22F3N2S.2C21H23F3N3S.3C20H9N5O6S2.3C19H21F3N3S.6CNS.6Ru/c2*27-25(28,29)19(11-40-14-37)17-1-4-33-21(9-17)23-7-16(3-6-39-13-36)8-24(35-23)22-10-18(2-5-34-22)20(12-41-15-38)26(30,31)32;28-15-31-8-3-18-1-6-25-21(11-18)23-13-20(5-10-33-17-30)14-24(27-23)22-12-19(2-7-26-22)4-9-32-16-29;1-3-4-5-6-7-16-11-13-28-20(16)19-10-12-26-21(27-19)17-9-8-15(2)14-18(17)22(23,24)25;2*1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-27-19(13-15)18(25)14-20(26)21(22,23)24;2*26-7-31-8-1-11(9-3-13-15(5-21-9)32-17(24-13)19(27)28)23-12(2-8)10-4-14-16(6-22-10)33-18(25-14)20(29)30;26-7-29-10-5-13(15-17-11(1-3-21-15)24-19(32-17)30-8-27)23-14(6-10)16-18-12(2-4-22-16)25-20(33-18)31-9-28;3*1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-25-16(11-14)15(23)12-17(24)19(20,21)22;6*2-1-3;;;;;;/h2*1-15H;1-17H;8,10-14H,3-7H2,1-2H3;2*7-14,25-26H,2-6H2,1H3;2*1-7H,(H,27,28)(H,29,30);1-9H;3*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;/q;;;3*-1;;;;9*-1;6*+2/b2*6-3+,19-11-,20-12-;8-3+,9-4+,10-5+;;2*8-7+,18-14-,26-20-;;;;3*15-12-,24-17-;;;;;;;;;;;;
InChIKeyOMHOVWXMMRVQTI-NXOQGLHFSA-N
MW6353.39 g/mol
LogP70.99
Rot. Bonds102

About [2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate

[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate (PubChem CID 158748460) has the molecular formula C263H205F30N47O36Ru6S18 and a molecular weight of 6353.39 g/mol. Its IUPAC name is [2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate.

Molecular Properties

Compound Name[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate
PubChem CID158748460
Molecular FormulaC263H205F30N47O36Ru6S18
Molecular Weight6353.39 g/mol
Exact Mass6353.44
IUPAC Name[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate
SMILESCCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C)cc2C(F)(F)F)n1.O=CO/C=C(/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C(=C/OC=O)C(F)(F)F)ccn3)n2)c1)C(F)(F)F.O=CO/C=C(/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C(=C/OC=O)C(F)(F)F)ccn3)n2)c1)C(F)(F)F.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=COc1cc(-c2cc3nc(C(=O)O)sc3cn2)nc(-c2cc3nc(C(=O)O)sc3cn2)c1.O=COc1cc(-c2cc3nc(C(=O)O)sc3cn2)nc(-c2cc3nc(C(=O)O)sc3cn2)c1.O=COc1cc(-c2nccc3nc(OC=O)sc23)nc(-c2nccc3nc(OC=O)sc23)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/2C26H15F6N3O6.C24H17N3O6.C22H22F3N2S.2C21H23F3N3S.3C20H9N5O6S2.3C19H21F3N3S.6CNS.6Ru/c2*27-25(28,29)19(11-40-14-37)17-1-4-33-21(9-17)23-7-16(3-6-39-13-36)8-24(35-23)22-10-18(2-5-34-22)20(12-41-15-38)26(30,31)32;28-15-31-8-3-18-1-6-25-21(11-18)23-13-20(5-10-33-17-30)14-24(27-23)22-12-19(2-7-26-22)4-9-32-16-29;1-3-4-5-6-7-16-11-13-28-20(16)19-10-12-26-21(27-19)17-9-8-15(2)14-18(17)22(23,24)25;2*1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-27-19(13-15)18(25)14-20(26)21(22,23)24;2*26-7-31-8-1-11(9-3-13-15(5-21-9)32-17(24-13)19(27)28)23-12(2-8)10-4-14-16(6-22-10)33-18(25-14)20(29)30;26-7-29-10-5-13(15-17-11(1-3-21-15)24-19(32-17)30-8-27)23-14(6-10)16-18-12(2-4-22-16)25-20(33-18)31-9-28;3*1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-25-16(11-14)15(23)12-17(24)19(20,21)22;6*2-1-3;;;;;;/h2*1-15H;1-17H;8,10-14H,3-7H2,1-2H3;2*7-14,25-26H,2-6H2,1H3;2*1-7H,(H,27,28)(H,29,30);1-9H;3*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;/q;;;3*-1;;;;9*-1;6*+2/b2*6-3+,19-11-,20-12-;8-3+,9-4+,10-5+;;2*8-7+,18-14-,26-20-;;;;3*15-12-,24-17-;;;;;;;;;;;;
InChIKeyOMHOVWXMMRVQTI-NXOQGLHFSA-N
XLogP70.99
TPSA1289.04 Ų
H-Bond Donors9
H-Bond Acceptors86
Rotatable Bonds102
Heavy Atoms400
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006353.39
LogP ≤ 570.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1086

Analyze [2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate with MolForge

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Launch Full Analysis

Related Compounds

6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 140687365
[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 140687550
[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 140687569
6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 140687609
[2-[4-Formyloxy-6-[4-[5-(5-pentylsulfanylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;ruthenium(2+);isothiocyanate
CID 153435203
5-(4,5-Dimethylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-3-yl]-2-pyridinyl]-6-pyrimidin-4-yl-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 153435215
[2-[4-Formyloxy-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazine;isothiocyanate
CID 153435248
[2-[4-formyloxy-6-[4-[5-(2-prop-1-ynylthiophen-3-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)pyrimidin-2-yl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 153435275
[2-[4-Formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;ruthenium(2+);isothiocyanate
CID 153435308
6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445619
2-(4-tert-butylbenzene-6-id-1-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 153445747
6-[6-(2-Carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445781

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate?
The IUPAC name of [2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate (CID 158748460) is [2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate.
What is the SMILES notation for [2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate?
The canonical SMILES for [2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate is CCCCCCc1ccsc1-c1ccnc(-c2[c-]cc(C)cc2C(F)(F)F)n1.O=CO/C=C(/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C(=C/OC=O)C(F)(F)F)ccn3)n2)c1)C(F)(F)F.O=CO/C=C(/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C(=C/OC=O)C(F)(F)F)ccn3)n2)c1)C(F)(F)F.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=COc1cc(-c2cc3nc(C(=O)O)sc3cn2)nc(-c2cc3nc(C(=O)O)sc3cn2)c1.O=COc1cc(-c2cc3nc(C(=O)O)sc3cn2)nc(-c2cc3nc(C(=O)O)sc3cn2)c1.O=COc1cc(-c2nccc3nc(OC=O)sc23)nc(-c2nccc3nc(OC=O)sc23)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of [2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate?
The InChIKey is OMHOVWXMMRVQTI-NXOQGLHFSA-N. The full InChI is InChI=1S/2C26H15F6N3O6.C24H17N3O6.C22H22F3N2S.2C21H23F3N3S.3C20H9N5O6S2.3C19H21F3N3S.6CNS.6Ru/c2*27-25(28,29)19(11-40-14-37)17-1-4-33-21(9-17)23-7-16(3-6-39-13-36)8-24(35-23)22-10-18(2-5-34-22)20(12-41-15-38)26(30,31)32;28-15-31-8-3-18-1-6-25-21(11-18)23-13-20(5-10-33-17-30)14-24(27-23)22-12-19(2-7-26-22)4-9-32-16-29;1-3-4-5-6-7-16-11-13-28-20(16)19-10-12-26-21(27-19)17-9-8-15(2)14-18(17)22(23,24)25;2*1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-27-19(13-15)18(25)14-20(26)21(22,23)24;2*26-7-31-8-1-11(9-3-13-15(5-21-9)32-17(24-13)19(27)28)23-12(2-8)10-4-14-16(6-22-10)33-18(25-14)20(29)30;26-7-29-10-5-13(15-17-11(1-3-21-15)24-19(32-17)30-8-27)23-14(6-10)16-18-12(2-4-22-16)25-20(33-18)31-9-28;3*1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-25-16(11-14)15(23)12-17(24)19(20,21)22;6*2-1-3;;;;;;/h2*1-15H;1-17H;8,10-14H,3-7H2,1-2H3;2*7-14,25-26H,2-6H2,1H3;2*1-7H,(H,27,28)(H,29,30);1-9H;3*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;/q;;;3*-1;;;;9*-1;6*+2/b2*6-3+,19-11-,20-12-;8-3+,9-4+,10-5+;;2*8-7+,18-14-,26-20-;;;;3*15-12-,24-17-;;;;;;;;;;;;.
What are the key properties of [2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate?
[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate has a molecular weight of 6353.39 g/mol, XLogP of 70.99, 102 rotatable bonds, 9 hydrogen bond donors, and 86 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;bis([(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis(6-[6-(2-carboxy-[1,3]thiazolo[5,4-c]pyridin-6-yl)-4-formyloxy-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid);[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-(3-hexylthiophen-2-yl)-2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidine;hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tris([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate is sourced from PubChem (CID 158748460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).