[(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate

C338H275F18N51O22Ru6S18 — CID 158356477

IUPAC[(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate
SMILESC/C(=C\c1ccnc(-c2cc(/C=C(\C)OC=O)cc(-c3cc(-c4cc(N(c5ccccc5)c5ccccc5)cs4)ccn3)n2)c1)OC=O.N#C/C(=C\c1ccnc(-c2cc(/C=C(\C#N)OC=O)cc(-c3cc(-c4cc(N(c5ccccc5)c5ccccc5)cs4)ccn3)n2)c1)OC=O.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(-c4cc(N(c5ccccc5)c5ccccc5)cs4)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(-c4cc(N(c5ccccc5)c5ccccc5)cs4)ccn3)n2)c1.O=COc1cc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)ccn2)nc(-c2cc(OC=O)c3ccccc3n2)c1.O=COc1cc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)ccn2)nc(-c2ncccn2)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(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)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/C39H24N6O4S.C39H30N4O4S.C37H24N4O4S.C37H26N4O4S.C35H24N4O4S.C31H21N5O2S.6C19H21F3N3S.6CNS.6Ru/c40-22-33(48-25-46)15-27-11-13-42-35(17-27)37-18-28(16-34(23-41)49-26-47)19-38(44-37)36-20-29(12-14-43-36)39-21-32(24-50-39)45(30-7-3-1-4-8-30)31-9-5-2-6-10-31;1-27(46-25-44)17-29-13-15-40-35(19-29)37-20-30(18-28(2)47-26-45)21-38(42-37)36-22-31(14-16-41-36)39-23-34(24-48-39)43(32-9-5-3-6-10-32)33-11-7-4-8-12-33;42-23-44-28-20-32(40-33(21-28)34-22-35(45-24-43)29-13-7-8-14-30(29)39-34)31-19-25(17-18-38-31)36-15-16-37(46-36)41(26-9-3-1-4-10-26)27-11-5-2-6-12-27;42-25-44-17-13-27-11-15-38-33(19-27)35-20-28(14-18-45-26-43)21-36(40-35)34-22-29(12-16-39-34)37-23-32(24-46-37)41(30-7-3-1-4-8-30)31-9-5-2-6-10-31;40-23-42-16-13-25-11-14-36-31(17-25)33-20-30(43-24-41)21-34(38-33)32-18-26(12-15-37-32)35-19-29(22-44-35)39(27-7-3-1-4-8-27)28-9-5-2-6-10-28;37-21-38-25-19-27(35-28(20-25)31-33-15-7-16-34-31)26-18-22(14-17-32-26)29-12-13-30(39-29)36(23-8-3-1-4-9-23)24-10-5-2-6-11-24;6*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;;;;;;/h1-21,24-26H;3-26H,1-2H3;1-24H;1-26H;1-24H;1-21H;6*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;/q;;;;;;12*-1;6*+2/b33-15+,34-16+;27-17+,28-18+;;17-13+,18-14+;16-13+;;15-12+,24-17-;5*15-12-,24-17-;;;;;;;;;;;;
InChIKeyGSYATQFGHWHART-XVMZIHQMSA-N
MW6928.84 g/mol
LogP96.07
Rot. Bonds113

About [(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate

[(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate (PubChem CID 158356477) has the molecular formula C338H275F18N51O22Ru6S18 and a molecular weight of 6928.84 g/mol. Its IUPAC name is [(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate.

Molecular Properties

Compound Name[(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate
PubChem CID158356477
Molecular FormulaC338H275F18N51O22Ru6S18
Molecular Weight6928.84 g/mol
Exact Mass6928.09
IUPAC Name[(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate
SMILESC/C(=C\c1ccnc(-c2cc(/C=C(\C)OC=O)cc(-c3cc(-c4cc(N(c5ccccc5)c5ccccc5)cs4)ccn3)n2)c1)OC=O.N#C/C(=C\c1ccnc(-c2cc(/C=C(\C#N)OC=O)cc(-c3cc(-c4cc(N(c5ccccc5)c5ccccc5)cs4)ccn3)n2)c1)OC=O.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(-c4cc(N(c5ccccc5)c5ccccc5)cs4)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(-c4cc(N(c5ccccc5)c5ccccc5)cs4)ccn3)n2)c1.O=COc1cc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)ccn2)nc(-c2cc(OC=O)c3ccccc3n2)c1.O=COc1cc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)ccn2)nc(-c2ncccn2)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(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)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/C39H24N6O4S.C39H30N4O4S.C37H24N4O4S.C37H26N4O4S.C35H24N4O4S.C31H21N5O2S.6C19H21F3N3S.6CNS.6Ru/c40-22-33(48-25-46)15-27-11-13-42-35(17-27)37-18-28(16-34(23-41)49-26-47)19-38(44-37)36-20-29(12-14-43-36)39-21-32(24-50-39)45(30-7-3-1-4-8-30)31-9-5-2-6-10-31;1-27(46-25-44)17-29-13-15-40-35(19-29)37-20-30(18-28(2)47-26-45)21-38(42-37)36-22-31(14-16-41-36)39-23-34(24-48-39)43(32-9-5-3-6-10-32)33-11-7-4-8-12-33;42-23-44-28-20-32(40-33(21-28)34-22-35(45-24-43)29-13-7-8-14-30(29)39-34)31-19-25(17-18-38-31)36-15-16-37(46-36)41(26-9-3-1-4-10-26)27-11-5-2-6-12-27;42-25-44-17-13-27-11-15-38-33(19-27)35-20-28(14-18-45-26-43)21-36(40-35)34-22-29(12-16-39-34)37-23-32(24-46-37)41(30-7-3-1-4-8-30)31-9-5-2-6-10-31;40-23-42-16-13-25-11-14-36-31(17-25)33-20-30(43-24-41)21-34(38-33)32-18-26(12-15-37-32)35-19-29(22-44-35)39(27-7-3-1-4-8-27)28-9-5-2-6-10-28;37-21-38-25-19-27(35-28(20-25)31-33-15-7-16-34-31)26-18-22(14-17-32-26)29-12-13-30(39-29)36(23-8-3-1-4-9-23)24-10-5-2-6-11-24;6*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;;;;;;/h1-21,24-26H;3-26H,1-2H3;1-24H;1-26H;1-24H;1-21H;6*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;/q;;;;;;12*-1;6*+2/b33-15+,34-16+;27-17+,28-18+;;17-13+,18-14+;16-13+;;15-12+,24-17-;5*15-12-,24-17-;;;;;;;;;;;;
InChIKeyGSYATQFGHWHART-XVMZIHQMSA-N
XLogP96.07
TPSA1098.27 Ų
H-Bond Donors6
H-Bond Acceptors79
Rotatable Bonds113
Heavy Atoms453
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006928.84
LogP ≤ 596.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1079

Analyze [(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(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

N,N-bis(4-methylphenyl)-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,5-triazin-2-amine;[2-[4-formyloxy-6-[4-[5-(4-prop-1-ynylthiophen-3-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 153435198
[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
[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
bis([2,6-bis[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-4-pyridinyl] formate);[2,6-bis[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine);tetrakis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);bis([(E)-2-[2-[4-[(E)-2-formyloxy-2-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate);hexakis(ruthenium(2+));[(E)-4,4,4-trifluoro-1-[2-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-6-[4-[(E)-4,4,4-trifluoro-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;hexaisothiocyanate
CID 157118512
2-[2,4-Bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;bis([2-[4-formyloxy-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);[2-[4-formyloxy-6-[4-[5-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-formyloxy-6-[4-[5-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tetrakis(ruthenium(2+));triisothiocyanate
CID 157366112
CID 157409154
CID 157409154
2-[4-(3,5-Diethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxy-5-nitrophenyl)-1,3,5-triazin-2-yl]-4-nitrophenol;2-[4-(5-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-(3-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenol;ruthenium
CID 157439661
bis(N,N-bis(4-tert-butylphenyl)-4-[2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidin-4-yl]aniline);N,N-bis(4-tert-butylphenyl)-4-[2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]pyrimidin-5-yl]aniline;tris([(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-N,N-bis(4-pentylphenyl)pyrimidin-4-amine;2-[4-methyl-2-(trifluoromethyl)benzene-6-id-1-yl]-N,N-bis(4-pentylphenyl)pyrimidin-5-amine;pentakis(ruthenium(2+));pentaisothiocyanate
CID 157461873
CID 157658151
CID 157658151
CID 157888455
CID 157888455
[(E)-1-cyano-2-[2-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]ethenyl] formate;[(Z)-1-[4-(3-ethylheptyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;tris([2-[4-formyloxy-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate);pentakis(ruthenium(2+));bis([(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-(4-octoxy-2-pyridinyl)but-1-enyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-(4-octylsulfanyl-2-pyridinyl)but-1-enyl]azanide;pentaisothiocyanate
CID 158011193

Frequently Asked Questions

What is the IUPAC name of [(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate?
The IUPAC name of [(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate (CID 158356477) is [(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(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 [(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate?
The canonical SMILES for [(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate is C/C(=C\c1ccnc(-c2cc(/C=C(\C)OC=O)cc(-c3cc(-c4cc(N(c5ccccc5)c5ccccc5)cs4)ccn3)n2)c1)OC=O.N#C/C(=C\c1ccnc(-c2cc(/C=C(\C#N)OC=O)cc(-c3cc(-c4cc(N(c5ccccc5)c5ccccc5)cs4)ccn3)n2)c1)OC=O.O=CO/C=C/c1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(-c4cc(N(c5ccccc5)c5ccccc5)cs4)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(OC=O)cc(-c3cc(-c4cc(N(c5ccccc5)c5ccccc5)cs4)ccn3)n2)c1.O=COc1cc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)ccn2)nc(-c2cc(OC=O)c3ccccc3n2)c1.O=COc1cc(-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)s3)ccn2)nc(-c2ncccn2)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(-c2sccc2CCCCCC)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)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 [(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate?
The InChIKey is GSYATQFGHWHART-XVMZIHQMSA-N. The full InChI is InChI=1S/C39H24N6O4S.C39H30N4O4S.C37H24N4O4S.C37H26N4O4S.C35H24N4O4S.C31H21N5O2S.6C19H21F3N3S.6CNS.6Ru/c40-22-33(48-25-46)15-27-11-13-42-35(17-27)37-18-28(16-34(23-41)49-26-47)19-38(44-37)36-20-29(12-14-43-36)39-21-32(24-50-39)45(30-7-3-1-4-8-30)31-9-5-2-6-10-31;1-27(46-25-44)17-29-13-15-40-35(19-29)37-20-30(18-28(2)47-26-45)21-38(42-37)36-22-31(14-16-41-36)39-23-34(24-48-39)43(32-9-5-3-6-10-32)33-11-7-4-8-12-33;42-23-44-28-20-32(40-33(21-28)34-22-35(45-24-43)29-13-7-8-14-30(29)39-34)31-19-25(17-18-38-31)36-15-16-37(46-36)41(26-9-3-1-4-10-26)27-11-5-2-6-12-27;42-25-44-17-13-27-11-15-38-33(19-27)35-20-28(14-18-45-26-43)21-36(40-35)34-22-29(12-16-39-34)37-23-32(24-46-37)41(30-7-3-1-4-8-30)31-9-5-2-6-10-31;40-23-42-16-13-25-11-14-36-31(17-25)33-20-30(43-24-41)21-34(38-33)32-18-26(12-15-37-32)35-19-29(22-44-35)39(27-7-3-1-4-8-27)28-9-5-2-6-10-28;37-21-38-25-19-27(35-28(20-25)31-33-15-7-16-34-31)26-18-22(14-17-32-26)29-12-13-30(39-29)36(23-8-3-1-4-9-23)24-10-5-2-6-11-24;6*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;;;;;;/h1-21,24-26H;3-26H,1-2H3;1-24H;1-26H;1-24H;1-21H;6*7-12,23-24H,2-6H2,1H3;;;;;;;;;;;;/q;;;;;;12*-1;6*+2/b33-15+,34-16+;27-17+,28-18+;;17-13+,18-14+;16-13+;;15-12+,24-17-;5*15-12-,24-17-;;;;;;;;;;;;.
What are the key properties of [(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate?
[(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate has a molecular weight of 6928.84 g/mol, XLogP of 96.07, 113 rotatable bonds, 6 hydrogen bond donors, and 79 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-cyano-2-[2-[4-[(E)-2-cyano-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-2-[2-[4-formyloxy-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxyprop-1-enyl]-6-[4-[4-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]prop-1-en-2-yl] formate;[2-(4-formyloxyquinolin-2-yl)-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-4-pyridinyl] formate;[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate;hexakis(ruthenium(2+));hexakis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);hexaisothiocyanate is sourced from PubChem (CID 158356477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).