bis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate

C356H287F24N59O48Ru8S21 — CID 161441148

IUPACbis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate
SMILESO=COc1cc(-c2nccc3cc(OC=O)ccc23)nc(-c2nccc3cc(OC=O)ccc23)c1.O=COc1cc(-c2nccc3cc(OC=O)sc23)nc(-c2nccc3cc(OC=O)sc23)c1.O=COc1cc(-c2nccc3ccc(OC=O)cc23)nc(-c2nccc3ccc(OC=O)cc23)c1.O=COc1cc(-c2nccc3nc(OC=O)sc23)nc(-c2nccc3nc(OC=O)sc23)c1.O=COc1ccnc(-c2cc3cc(OC=O)ccc3c(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc3cc(OC=O)ccc3c(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc3cc(OC=O)sc3c(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc3cc(OC=O)sc3c(-c3cc(OC=O)ccn3)n2)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(-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.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1ccc(N(c2ccc(CCCCC)cc2)c2ccc(CCCCC)cc2)cn1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[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].[Ru+2].[Ru+2]
InChIInChI=1S/C31H36F3N4.2C26H15N3O6.C22H11N3O6S2.2C22H13N3O6.3C21H23F3N3S.C20H9N5O6S2.2C20H11N3O6S.4C19H21F3N3S.8CNS.8Ru/c1-3-5-7-9-23-11-15-25(16-12-23)38(26-17-13-24(14-18-26)10-8-6-4-2)27-19-20-29(37-22-27)28(35)21-30(36)31(32,33)34;30-13-33-18-1-3-21-16(9-18)5-7-27-25(21)23-11-20(35-15-32)12-24(29-23)26-22-4-2-19(34-14-31)10-17(22)6-8-28-26;30-13-33-18-3-1-16-5-7-27-25(21(16)9-18)23-11-20(35-15-32)12-24(29-23)26-22-10-19(34-14-31)4-2-17(22)6-8-28-26;26-9-29-14-7-15(19-21-12(1-3-23-19)5-17(32-21)30-10-27)25-16(8-14)20-22-13(2-4-24-20)6-18(33-22)31-11-28;2*26-11-29-15-1-2-18-14(7-15)8-20(19-9-16(30-12-27)3-5-23-19)25-22(18)21-10-17(31-13-28)4-6-24-21;3*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;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;2*24-9-27-13-1-3-21-15(7-13)16-5-12-6-18(29-11-26)30-20(12)19(23-16)17-8-14(28-10-25)2-4-22-17;4*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;8*2-1-3;;;;;;;;/h11-22,35-36H,3-10H2,1-2H3;2*1-15H;1-11H;2*1-13H;3*7-14,25-26H,2-6H2,1H3;1-9H;2*1-11H;4*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;;;;;/q-1;;;;;;3*-1;;;;12*-1;8*+2/b28-21-,36-30-;;;;;;3*8-7+,18-14-,26-20-;;;;4*15-12-,24-17-;;;;;;;;;;;;;;;;
InChIKeyVZHFCDBGGLACDS-NZNRCQKNSA-N
MW8097.50 g/mol
LogP92.59
Rot. Bonds136

About bis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate

bis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate (PubChem CID 161441148) has the molecular formula C356H287F24N59O48Ru8S21 and a molecular weight of 8097.50 g/mol. Its IUPAC name is bis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate.

Molecular Properties

Compound Namebis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate
PubChem CID161441148
Molecular FormulaC356H287F24N59O48Ru8S21
Molecular Weight8097.50 g/mol
Exact Mass8097.79
IUPAC Namebis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate
SMILESO=COc1cc(-c2nccc3cc(OC=O)ccc23)nc(-c2nccc3cc(OC=O)ccc23)c1.O=COc1cc(-c2nccc3cc(OC=O)sc23)nc(-c2nccc3cc(OC=O)sc23)c1.O=COc1cc(-c2nccc3ccc(OC=O)cc23)nc(-c2nccc3ccc(OC=O)cc23)c1.O=COc1cc(-c2nccc3nc(OC=O)sc23)nc(-c2nccc3nc(OC=O)sc23)c1.O=COc1ccnc(-c2cc3cc(OC=O)ccc3c(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc3cc(OC=O)ccc3c(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc3cc(OC=O)sc3c(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc3cc(OC=O)sc3c(-c3cc(OC=O)ccn3)n2)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(-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.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1ccc(N(c2ccc(CCCCC)cc2)c2ccc(CCCCC)cc2)cn1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[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].[Ru+2].[Ru+2]
InChIInChI=1S/C31H36F3N4.2C26H15N3O6.C22H11N3O6S2.2C22H13N3O6.3C21H23F3N3S.C20H9N5O6S2.2C20H11N3O6S.4C19H21F3N3S.8CNS.8Ru/c1-3-5-7-9-23-11-15-25(16-12-23)38(26-17-13-24(14-18-26)10-8-6-4-2)27-19-20-29(37-22-27)28(35)21-30(36)31(32,33)34;30-13-33-18-1-3-21-16(9-18)5-7-27-25(21)23-11-20(35-15-32)12-24(29-23)26-22-4-2-19(34-14-31)10-17(22)6-8-28-26;30-13-33-18-3-1-16-5-7-27-25(21(16)9-18)23-11-20(35-15-32)12-24(29-23)26-22-10-19(34-14-31)4-2-17(22)6-8-28-26;26-9-29-14-7-15(19-21-12(1-3-23-19)5-17(32-21)30-10-27)25-16(8-14)20-22-13(2-4-24-20)6-18(33-22)31-11-28;2*26-11-29-15-1-2-18-14(7-15)8-20(19-9-16(30-12-27)3-5-23-19)25-22(18)21-10-17(31-13-28)4-6-24-21;3*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;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;2*24-9-27-13-1-3-21-15(7-13)16-5-12-6-18(29-11-26)30-20(12)19(23-16)17-8-14(28-10-25)2-4-22-17;4*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;8*2-1-3;;;;;;;;/h11-22,35-36H,3-10H2,1-2H3;2*1-15H;1-11H;2*1-13H;3*7-14,25-26H,2-6H2,1H3;1-9H;2*1-11H;4*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;;;;;/q-1;;;;;;3*-1;;;;12*-1;8*+2/b28-21-,36-30-;;;;;;3*8-7+,18-14-,26-20-;;;;4*15-12-,24-17-;;;;;;;;;;;;;;;;
InChIKeyVZHFCDBGGLACDS-NZNRCQKNSA-N
XLogP92.59
TPSA1632.30 Ų
H-Bond Donors8
H-Bond Acceptors112
Rotatable Bonds136
Heavy Atoms516
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5008097.50
LogP ≤ 592.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 10112

Analyze bis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate with MolForge

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Launch Full Analysis

Related Compounds

[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 140687264
[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;isothiocyanate
CID 140687424
[1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] 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 140687463
[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 140687465
6-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N,N-bis(4-pentylphenyl)pyridin-3-amine;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;ruthenium(1+);isothiocyanate
CID 140687530
[1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 140687533
[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
[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[4-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;isothiocyanate
CID 140687582
[1-[4-Formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445644
[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;N,N-bis(4-pentylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;ruthenium(2+);isothiocyanate
CID 153445682
[1-[4-Formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445732

Frequently Asked Questions

What is the IUPAC name of bis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate?
The IUPAC name of bis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate (CID 161441148) is bis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate.
What is the SMILES notation for bis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate?
The canonical SMILES for bis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate is O=COc1cc(-c2nccc3cc(OC=O)ccc23)nc(-c2nccc3cc(OC=O)ccc23)c1.O=COc1cc(-c2nccc3cc(OC=O)sc23)nc(-c2nccc3cc(OC=O)sc23)c1.O=COc1cc(-c2nccc3ccc(OC=O)cc23)nc(-c2nccc3ccc(OC=O)cc23)c1.O=COc1cc(-c2nccc3nc(OC=O)sc23)nc(-c2nccc3nc(OC=O)sc23)c1.O=COc1ccnc(-c2cc3cc(OC=O)ccc3c(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc3cc(OC=O)ccc3c(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc3cc(OC=O)sc3c(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc3cc(OC=O)sc3c(-c3cc(OC=O)ccn3)n2)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(-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.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1ccc(N(c2ccc(CCCCC)cc2)c2ccc(CCCCC)cc2)cn1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[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].[Ru+2].[Ru+2].
What is the InChIKey of bis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate?
The InChIKey is VZHFCDBGGLACDS-NZNRCQKNSA-N. The full InChI is InChI=1S/C31H36F3N4.2C26H15N3O6.C22H11N3O6S2.2C22H13N3O6.3C21H23F3N3S.C20H9N5O6S2.2C20H11N3O6S.4C19H21F3N3S.8CNS.8Ru/c1-3-5-7-9-23-11-15-25(16-12-23)38(26-17-13-24(14-18-26)10-8-6-4-2)27-19-20-29(37-22-27)28(35)21-30(36)31(32,33)34;30-13-33-18-1-3-21-16(9-18)5-7-27-25(21)23-11-20(35-15-32)12-24(29-23)26-22-4-2-19(34-14-31)10-17(22)6-8-28-26;30-13-33-18-3-1-16-5-7-27-25(21(16)9-18)23-11-20(35-15-32)12-24(29-23)26-22-10-19(34-14-31)4-2-17(22)6-8-28-26;26-9-29-14-7-15(19-21-12(1-3-23-19)5-17(32-21)30-10-27)25-16(8-14)20-22-13(2-4-24-20)6-18(33-22)31-11-28;2*26-11-29-15-1-2-18-14(7-15)8-20(19-9-16(30-12-27)3-5-23-19)25-22(18)21-10-17(31-13-28)4-6-24-21;3*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;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;2*24-9-27-13-1-3-21-15(7-13)16-5-12-6-18(29-11-26)30-20(12)19(23-16)17-8-14(28-10-25)2-4-22-17;4*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;8*2-1-3;;;;;;;;/h11-22,35-36H,3-10H2,1-2H3;2*1-15H;1-11H;2*1-13H;3*7-14,25-26H,2-6H2,1H3;1-9H;2*1-11H;4*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;;;;;/q-1;;;;;;3*-1;;;;12*-1;8*+2/b28-21-,36-30-;;;;;;3*8-7+,18-14-,26-20-;;;;4*15-12-,24-17-;;;;;;;;;;;;;;;;.
What are the key properties of bis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate?
bis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate has a molecular weight of 8097.50 g/mol, XLogP of 92.59, 136 rotatable bonds, 8 hydrogen bond donors, and 112 hydrogen bond acceptors.
Where does this data come from?
All data for bis([1,3-bis(4-formyloxy-2-pyridinyl)isoquinolin-6-yl] formate);[2,6-bis(2-formyloxy-[1,3]thiazolo[5,4-c]pyridin-4-yl)-4-pyridinyl] formate;[2,6-bis(2-formyloxythieno[2,3-c]pyridin-7-yl)-4-pyridinyl] formate;[1-[4-formyloxy-6-(6-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-6-yl] formate;[1-[4-formyloxy-6-(7-formyloxyisoquinolin-1-yl)-2-pyridinyl]isoquinolin-7-yl] formate;bis([2-[2-formyloxy-7-(4-formyloxy-2-pyridinyl)thieno[2,3-c]pyridin-5-yl]-4-pyridinyl] formate);octakis(ruthenium(2+));tris([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetrakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(4-pentyl-N-(4-pentylphenyl)anilino)-2-pyridinyl]but-1-enyl]azanide;octaisothiocyanate is sourced from PubChem (CID 161441148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).