[(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate

C304H252F44N44O40Ru6S8 — CID 157136467

IUPAC[(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate
SMILESCCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)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(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(-c2cc(C(F)(F)F)n[n-]2)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1)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/2C35H43F6N5O2.3C26H15F6N3O6.C24H15F2N3O6.2C24H13N3O6.2C21H21F3N3S.2C19H19F3N3S.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)24-20-26(25(42)22-31(43)34(36,37)38)44-27(21-24)28-23-32(46-45-28)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)8-7-15-11-12-25-18(13-15)19-14-20(27-26-19)21(22,23)24;2*1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-23-15(11-14)16-12-17(25-24-16)19(20,21)22;4*2-1-3;;;;;;/h2*15-17,20-23,42-43H,3-14,18-19H2,1-2H3;3*1-15H;1-15H;2*1-2,5-7,10-17H;2*7-14H,2-6H2,1H3;2*7-12H,2-6H2,1H3;;;;;;;;;;/q2*-2;;;;;;;8*-1;6*+2/b2*25-22+,43-31-;4*4-1+,5-2+,6-3+;2*10-5+;2*8-7+;;;;;;;;;;;;
InChIKeyAJRHSFBJQFFPMU-CNDSPONVSA-N
MW6860.50 g/mol
LogP75.55
Rot. Bonds128

About [(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate

[(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate (PubChem CID 157136467) has the molecular formula C304H252F44N44O40Ru6S8 and a molecular weight of 6860.50 g/mol. Its IUPAC name is [(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate.

Molecular Properties

Compound Name[(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate
PubChem CID157136467
Molecular FormulaC304H252F44N44O40Ru6S8
Molecular Weight6860.50 g/mol
Exact Mass6861.04
IUPAC Name[(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate
SMILESCCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)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(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(-c2cc(C(F)(F)F)n[n-]2)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1)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/2C35H43F6N5O2.3C26H15F6N3O6.C24H15F2N3O6.2C24H13N3O6.2C21H21F3N3S.2C19H19F3N3S.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)24-20-26(25(42)22-31(43)34(36,37)38)44-27(21-24)28-23-32(46-45-28)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)8-7-15-11-12-25-18(13-15)19-14-20(27-26-19)21(22,23)24;2*1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-23-15(11-14)16-12-17(25-24-16)19(20,21)22;4*2-1-3;;;;;;/h2*15-17,20-23,42-43H,3-14,18-19H2,1-2H3;3*1-15H;1-15H;2*1-2,5-7,10-17H;2*7-14H,2-6H2,1H3;2*7-12H,2-6H2,1H3;;;;;;;;;;/q2*-2;;;;;;;8*-1;6*+2/b2*25-22+,43-31-;4*4-1+,5-2+,6-3+;2*10-5+;2*8-7+;;;;;;;;;;;;
InChIKeyAJRHSFBJQFFPMU-CNDSPONVSA-N
XLogP75.55
TPSA1166.12 Ų
H-Bond Donors2
H-Bond Acceptors80
Rotatable Bonds128
Heavy Atoms446
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006860.50
LogP ≤ 575.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1080

Analyze [(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate with MolForge

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Launch Full Analysis

Related Compounds

[2-[4-Formyloxy-6-[4-[2-(5-hept-1-ynylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780301
[2-[4-Formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylsulfanylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780303
4-(2,5-dihexylthiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780309
[2-[4-Formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
CID 140780311
[2-[6-[4-[2-(4-Tert-butylthiophen-2-yl)ethynyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-decylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780313
[2-[4-Formyloxy-6-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780316
[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
[2-[4-Formyloxy-6-[4-(2-thieno[3,2-b]thiophen-5-ylethynyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780323
[2-[4-Formyloxy-6-[4-(2-thiophen-2-ylethynyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780324
4-(3-Decylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[2-(4-propylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780328
4-(2,5-Dihexylthiophen-3-yl)-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 140780330
[2-[4-Formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-pyrrol-1-id-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
CID 140780332

Frequently Asked Questions

What is the IUPAC name of [(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate?
The IUPAC name of [(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate (CID 157136467) is [(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate.
What is the SMILES notation for [(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate?
The canonical SMILES for [(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate is CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)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(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(-c2cc(C(F)(F)F)n[n-]2)n1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1)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 [(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate?
The InChIKey is AJRHSFBJQFFPMU-CNDSPONVSA-N. The full InChI is InChI=1S/2C35H43F6N5O2.3C26H15F6N3O6.C24H15F2N3O6.2C24H13N3O6.2C21H21F3N3S.2C19H19F3N3S.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)24-20-26(25(42)22-31(43)34(36,37)38)44-27(21-24)28-23-32(46-45-28)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)8-7-15-11-12-25-18(13-15)19-14-20(27-26-19)21(22,23)24;2*1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-23-15(11-14)16-12-17(25-24-16)19(20,21)22;4*2-1-3;;;;;;/h2*15-17,20-23,42-43H,3-14,18-19H2,1-2H3;3*1-15H;1-15H;2*1-2,5-7,10-17H;2*7-14H,2-6H2,1H3;2*7-12H,2-6H2,1H3;;;;;;;;;;/q2*-2;;;;;;;8*-1;6*+2/b2*25-22+,43-31-;4*4-1+,5-2+,6-3+;2*10-5+;2*8-7+;;;;;;;;;;;;.
What are the key properties of [(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate?
[(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate has a molecular weight of 6860.50 g/mol, XLogP of 75.55, 128 rotatable bonds, 2 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for [(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);bis([(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);bis(4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexakis(ruthenium(2+));tetraisothiocyanate is sourced from PubChem (CID 157136467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).