bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate

C304H264F44N44O40Ru6S8 — CID 158258712

IUPACbis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate
SMILESO=CO/C=C/c1cc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)nc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)c1.O=CO/C=C/c1cc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)nc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)c1.O=CO/C=C/c1cc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)nc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)c1.O=CO/C=C/c1cc(-c2cc(/C=C/OC=O)c(F)cn2)nc(-c2cc(/C=C/OC=O)c(F)cn2)c1.O=COC#Cc1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(C#COC=O)ccn3)n2)c1.O=COC#Cc1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(C#COC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(/C([NH-])=C\C(=N/[H])C(F)(F)F)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(/C([NH-])=C\C(=N\[H])C(F)(F)F)n1)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.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/2C35H45F6N5O2.3C26H15F6N3O6.C24H15F2N3O6.2C24H13N3O6.2C21H23F3N3S.2C19H21F3N3S.4CNS.6Ru/c2*1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-27(25(42)22-31(44)34(36,37)38)46-28(21-24)26(43)23-32(45)35(39,40)41;3*27-25(28,29)19-11-33-21(9-17(19)2-5-40-14-37)23-7-16(1-4-39-13-36)8-24(35-23)22-10-18(3-6-41-15-38)20(12-34-22)26(30,31)32;25-19-11-27-21(9-17(19)2-5-34-14-31)23-7-16(1-4-33-13-30)8-24(29-23)22-10-18(3-6-35-15-32)20(26)12-28-22;2*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;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*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;4*2-1-3;;;;;;/h2*15-17,20-23,42-45H,3-14,18-19H2,1-2H3;3*1-15H;1-15H;2*1-2,5-7,10-17H;2*7-14,25-26H,2-6H2,1H3;2*7-12,23-24H,2-6H2,1H3;;;;;;;;;;/q2*-2;;;;;;;8*-1;6*+2/b25-22-,26-23+,44-31-,45-32+;25-22-,26-23+,44-31-,45-32-;4*4-1+,5-2+,6-3+;2*10-5+;2*8-7+,18-14-,26-20-;2*15-12-,24-17-;;;;;;;;;;
InChIKeyGHPJHHRXHRIBKJ-AUZDFIEKSA-N
MW6872.59 g/mol
LogP81.18
Rot. Bonds134

About bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate

bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate (PubChem CID 158258712) has the molecular formula C304H264F44N44O40Ru6S8 and a molecular weight of 6872.59 g/mol. Its IUPAC name is bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate.

Molecular Properties

Compound Namebis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate
PubChem CID158258712
Molecular FormulaC304H264F44N44O40Ru6S8
Molecular Weight6872.59 g/mol
Exact Mass6873.13
IUPAC Namebis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate
SMILESO=CO/C=C/c1cc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)nc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)c1.O=CO/C=C/c1cc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)nc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)c1.O=CO/C=C/c1cc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)nc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)c1.O=CO/C=C/c1cc(-c2cc(/C=C/OC=O)c(F)cn2)nc(-c2cc(/C=C/OC=O)c(F)cn2)c1.O=COC#Cc1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(C#COC=O)ccn3)n2)c1.O=COC#Cc1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(C#COC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(/C([NH-])=C\C(=N/[H])C(F)(F)F)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(/C([NH-])=C\C(=N\[H])C(F)(F)F)n1)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.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2]
InChIInChI=1S/2C35H45F6N5O2.3C26H15F6N3O6.C24H15F2N3O6.2C24H13N3O6.2C21H23F3N3S.2C19H21F3N3S.4CNS.6Ru/c2*1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-27(25(42)22-31(44)34(36,37)38)46-28(21-24)26(43)23-32(45)35(39,40)41;3*27-25(28,29)19-11-33-21(9-17(19)2-5-40-14-37)23-7-16(1-4-39-13-36)8-24(35-23)22-10-18(3-6-41-15-38)20(12-34-22)26(30,31)32;25-19-11-27-21(9-17(19)2-5-34-14-31)23-7-16(1-4-33-13-30)8-24(29-23)22-10-18(3-6-35-15-32)20(26)12-28-22;2*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;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*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;4*2-1-3;;;;;;/h2*15-17,20-23,42-45H,3-14,18-19H2,1-2H3;3*1-15H;1-15H;2*1-2,5-7,10-17H;2*7-14,25-26H,2-6H2,1H3;2*7-12,23-24H,2-6H2,1H3;;;;;;;;;;/q2*-2;;;;;;;8*-1;6*+2/b25-22-,26-23+,44-31-,45-32+;25-22-,26-23+,44-31-,45-32-;4*4-1+,5-2+,6-3+;2*10-5+;2*8-7+,18-14-,26-20-;2*15-12-,24-17-;;;;;;;;;;
InChIKeyGHPJHHRXHRIBKJ-AUZDFIEKSA-N
XLogP81.18
TPSA1290.08 Ų
H-Bond Donors8
H-Bond Acceptors80
Rotatable Bonds134
Heavy Atoms446
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006872.59
LogP ≤ 581.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1080

Analyze bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate with MolForge

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Launch Full Analysis

Related Compounds

[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 140687193
[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 140687324
[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+)
CID 140687338
[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 140687395
[(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide;isothiocyanate
CID 140687428
[(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] 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 140687468
[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 140687515
[2-[6-[4-(2-Dibenzothiophen-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780318
5-(3,5-Dipropoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780354
4-(2,6-Dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780386
[2-[4-formyloxy-6-[4-[5-(2-methylthieno[3,2-b]thiophen-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-2-pyridinyl]-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 153435210
[2-[4-formyloxy-6-[4-[5-(7-prop-1-ynyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-1-enyl]azanide;isothiocyanate
CID 153435220

Frequently Asked Questions

What is the IUPAC name of bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate?
The IUPAC name of bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate (CID 158258712) is bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate.
What is the SMILES notation for bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate?
The canonical SMILES for bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate is O=CO/C=C/c1cc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)nc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)c1.O=CO/C=C/c1cc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)nc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)c1.O=CO/C=C/c1cc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)nc(-c2cc(/C=C/OC=O)c(C(F)(F)F)cn2)c1.O=CO/C=C/c1cc(-c2cc(/C=C/OC=O)c(F)cn2)nc(-c2cc(/C=C/OC=O)c(F)cn2)c1.O=COC#Cc1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(C#COC=O)ccn3)n2)c1.O=COC#Cc1ccnc(-c2cc(/C=C/OC=O)cc(-c3cc(C#COC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(/C([NH-])=C\C(=N/[H])C(F)(F)F)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(/C([NH-])=C\C(=N\[H])C(F)(F)F)n1)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.[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].
What is the InChIKey of bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate?
The InChIKey is GHPJHHRXHRIBKJ-AUZDFIEKSA-N. The full InChI is InChI=1S/2C35H45F6N5O2.3C26H15F6N3O6.C24H15F2N3O6.2C24H13N3O6.2C21H23F3N3S.2C19H21F3N3S.4CNS.6Ru/c2*1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-27(25(42)22-31(44)34(36,37)38)46-28(21-24)26(43)23-32(45)35(39,40)41;3*27-25(28,29)19-11-33-21(9-17(19)2-5-40-14-37)23-7-16(1-4-39-13-36)8-24(35-23)22-10-18(3-6-41-15-38)20(12-34-22)26(30,31)32;25-19-11-27-21(9-17(19)2-5-34-14-31)23-7-16(1-4-33-13-30)8-24(29-23)22-10-18(3-6-35-15-32)20(26)12-28-22;2*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;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*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;4*2-1-3;;;;;;/h2*15-17,20-23,42-45H,3-14,18-19H2,1-2H3;3*1-15H;1-15H;2*1-2,5-7,10-17H;2*7-14,25-26H,2-6H2,1H3;2*7-12,23-24H,2-6H2,1H3;;;;;;;;;;/q2*-2;;;;;;;8*-1;6*+2/b25-22-,26-23+,44-31-,45-32+;25-22-,26-23+,44-31-,45-32-;4*4-1+,5-2+,6-3+;2*10-5+;2*8-7+,18-14-,26-20-;2*15-12-,24-17-;;;;;;;;;;.
What are the key properties of bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate?
bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate has a molecular weight of 6872.59 g/mol, XLogP of 81.18, 134 rotatable bonds, 8 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);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);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate is sourced from PubChem (CID 158258712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).