bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate

C250H194F15N35O34Ru5S13 — CID 160826579

IUPACbis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate
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.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/c1ccnc(-c2cc(-c3cc(OC=O)cc(OC=O)c3)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(-c3cc(OC=O)cc(OC=O)c3)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(-c3cccc(OC=O)c3)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(-c3cccc(OC=O)c3)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=COc1ccc(-c2ccnc(-c3cc(-c4ccc(OC=O)s4)cc(-c4cc(-c5ccc(OC=O)s5)ccn4)n3)c2)s1.[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]
InChIInChI=1S/C30H17N3O6S3.2C29H19N3O8.2C28H19N3O6.3C21H21F3N3S.2C19H19F3N3S.5CNS.5Ru/c34-15-37-28-4-1-25(40-28)18-7-9-31-21(11-18)23-13-20(27-3-6-30(42-27)39-17-36)14-24(33-23)22-12-19(8-10-32-22)26-2-5-29(41-26)38-16-35;2*33-16-37-7-3-20-1-5-30-26(9-20)28-13-23(22-11-24(39-18-35)15-25(12-22)40-19-36)14-29(32-28)27-10-21(2-6-31-27)4-8-38-17-34;2*32-17-35-10-6-20-4-8-29-25(12-20)27-15-23(22-2-1-3-24(14-22)37-19-34)16-28(31-27)26-13-21(5-9-30-26)7-11-36-18-33;3*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;5*2-1-3;;;;;/h1-17H;2*1-19H;2*1-19H;3*7-14H,2-6H2,1H3;2*7-12H,2-6H2,1H3;;;;;;;;;;/q;;;;;10*-1;5*+2/b;2*7-3+,8-4+;2*10-6+,11-7+;3*8-7+;;;;;;;;;;;;
InChIKeySGGGXMLZJIJARR-SPWCZGAHSA-N
MW5439.70 g/mol
LogP59.49
Rot. Bonds97

About bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate

bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate (PubChem CID 160826579) has the molecular formula C250H194F15N35O34Ru5S13 and a molecular weight of 5439.70 g/mol. Its IUPAC name is bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate.

Molecular Properties

Compound Namebis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate
PubChem CID160826579
Molecular FormulaC250H194F15N35O34Ru5S13
Molecular Weight5439.70 g/mol
Exact Mass5439.59
IUPAC Namebis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate
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.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/c1ccnc(-c2cc(-c3cc(OC=O)cc(OC=O)c3)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(-c3cc(OC=O)cc(OC=O)c3)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(-c3cccc(OC=O)c3)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(-c3cccc(OC=O)c3)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=COc1ccc(-c2ccnc(-c3cc(-c4ccc(OC=O)s4)cc(-c4cc(-c5ccc(OC=O)s5)ccn4)n3)c2)s1.[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]
InChIInChI=1S/C30H17N3O6S3.2C29H19N3O8.2C28H19N3O6.3C21H21F3N3S.2C19H19F3N3S.5CNS.5Ru/c34-15-37-28-4-1-25(40-28)18-7-9-31-21(11-18)23-13-20(27-3-6-30(42-27)39-17-36)14-24(33-23)22-12-19(8-10-32-22)26-2-5-29(41-26)38-16-35;2*33-16-37-7-3-20-1-5-30-26(9-20)28-13-23(22-11-24(39-18-35)15-25(12-22)40-19-36)14-29(32-28)27-10-21(2-6-31-27)4-8-38-17-34;2*32-17-35-10-6-20-4-8-29-25(12-20)27-15-23(22-2-1-3-24(14-22)37-19-34)16-28(31-27)26-13-21(5-9-30-26)7-11-36-18-33;3*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;5*2-1-3;;;;;/h1-17H;2*1-19H;2*1-19H;3*7-14H,2-6H2,1H3;2*7-12H,2-6H2,1H3;;;;;;;;;;/q;;;;;10*-1;5*+2/b;2*7-3+,8-4+;2*10-6+,11-7+;3*8-7+;;;;;;;;;;;;
InChIKeySGGGXMLZJIJARR-SPWCZGAHSA-N
XLogP59.49
TPSA951.35 Ų
H-Bond Donors
H-Bond Acceptors72
Rotatable Bonds97
Heavy Atoms352
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005439.70
LogP ≤ 559.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1072

Analyze bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate with MolForge

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Related Compounds

[(E)-2-[2,6-bis[4-[(Z)-3,3,3-trifluoro-1-formyloxyprop-1-en-2-yl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445760
[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-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153435234
[2,6-bis[4-[(E)-5,5,5-trifluoro-2-formyloxypent-1-enyl]-2-pyridinyl]-4-pyridinyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445612
[2-[4-formyloxy-6-[4-(5-hexyl-2-thiophen-2-ylthiophen-3-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(5-pentylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153435230
[2-[6-[4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153435328
4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-methoxy-2,6-bis(4-methoxy-2-pyridinyl)pyridine;ruthenium(2+);isothiocyanate
CID 153445741
[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 153445641
4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+);isothiocyanate
CID 153445630
[2-[4-formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(5-hexylthiophen-2-yl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
CID 140780450
2-(3H-1-benzothiophen-3-id-2-yl)-4-(3-hexylthiophen-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 153445668
2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyridine;bis(2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine);[(1E,3E)-4-[2-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-6-[4-[(1E,3E)-4-formyloxybuta-1,3-dienyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]buta-1,3-dienyl] formate;[(E)-1-[2-[4-[(E)-2-formyloxybut-1-enyl]-6-[4-[(E)-2-formyloxybut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]but-1-en-2-yl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-(3-methylphenyl)ethenyl]-6-[4-[(E)-2-formyloxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethenyl] formate;[(E)-2-[2-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-6-[4-[(E)-2-formyloxy-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-[4-(trifluoromethyl)phenyl]ethenyl] formate;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(ruthenium(2+));tetraisothiocyanate
CID 161372546
[2-[4-formyloxy-6-[4-[2-(3-hexyl-5-methylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;4-(5-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780418

Frequently Asked Questions

What is the IUPAC name of bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate?
The IUPAC name of bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate (CID 160826579) is bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate.
What is the SMILES notation for bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate?
The canonical SMILES for bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate 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.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/c1ccnc(-c2cc(-c3cc(OC=O)cc(OC=O)c3)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(-c3cc(OC=O)cc(OC=O)c3)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(-c3cccc(OC=O)c3)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=CO/C=C/c1ccnc(-c2cc(-c3cccc(OC=O)c3)cc(-c3cc(/C=C/OC=O)ccn3)n2)c1.O=COc1ccc(-c2ccnc(-c3cc(-c4ccc(OC=O)s4)cc(-c4cc(-c5ccc(OC=O)s5)ccn4)n3)c2)s1.[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].
What is the InChIKey of bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate?
The InChIKey is SGGGXMLZJIJARR-SPWCZGAHSA-N. The full InChI is InChI=1S/C30H17N3O6S3.2C29H19N3O8.2C28H19N3O6.3C21H21F3N3S.2C19H19F3N3S.5CNS.5Ru/c34-15-37-28-4-1-25(40-28)18-7-9-31-21(11-18)23-13-20(27-3-6-30(42-27)39-17-36)14-24(33-23)22-12-19(8-10-32-22)26-2-5-29(41-26)38-16-35;2*33-16-37-7-3-20-1-5-30-26(9-20)28-13-23(22-11-24(39-18-35)15-25(12-22)40-19-36)14-29(32-28)27-10-21(2-6-31-27)4-8-38-17-34;2*32-17-35-10-6-20-4-8-29-25(12-20)27-15-23(22-2-1-3-24(14-22)37-19-34)16-28(31-27)26-13-21(5-9-30-26)7-11-36-18-33;3*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;5*2-1-3;;;;;/h1-17H;2*1-19H;2*1-19H;3*7-14H,2-6H2,1H3;2*7-12H,2-6H2,1H3;;;;;;;;;;/q;;;;;10*-1;5*+2/b;2*7-3+,8-4+;2*10-6+,11-7+;3*8-7+;;;;;;;;;;;;.
What are the key properties of bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate?
bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate has a molecular weight of 5439.70 g/mol, XLogP of 59.49, 97 rotatable bonds, 0 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(E)-2-[2-[4-(3,5-diformyloxyphenyl)-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2-[6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-(3-formyloxyphenyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);[5-[2-[4-(5-formyloxythiophen-2-yl)-6-[4-(5-formyloxythiophen-2-yl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]thiophen-2-yl] formate;tris(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);pentakis(ruthenium(2+));pentaisothiocyanate is sourced from PubChem (CID 160826579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).