3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate

C238H184F2N42O55Ru7S5- — CID 160635226

IUPAC3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate
SMILESCC(=O)C(/N=N\c1[n-]nc(C(C)(C)C)c1C#N)=C(C)O.CC(=O)C(N=Nc1ccccc1O)=C(C)O.CCCCCCc1ccsc1-c1nc(-c2cc(F)ccc2O)nc(-c2cc(F)ccc2O)n1.CCCCCCc1ccsc1-c1nc(-c2ccccc2O)nc(-c2ccccc2O)n1.C[N-]c1ccccc1N=Nc1ccccc1O.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=S([O-])C[N-]c1ccccc1N=Nc1ccccc1O.[Ru+2].[Ru+].[Ru+].[Ru+].[Ru].[Ru].[Ru].[S-]c1ccccc1N=Nc1ccccc1[S-]
InChIInChI=1S/C25H23F2N3O2S.C25H25N3O2S.7C18H11N3O6.C13H17N5O2.C13H12N3O3S.C13H12N3O.C12H10N2S2.C11H12N2O3.7Ru/c1-2-3-4-5-6-15-11-12-33-22(15)25-29-23(18-13-16(26)7-9-20(18)31)28-24(30-25)19-14-17(27)8-10-21(19)32;1-2-3-4-5-10-17-15-16-31-22(17)25-27-23(18-11-6-8-13-20(18)29)26-24(28-25)19-12-7-9-14-21(19)30;7*22-9-25-12-1-3-19-15(5-12)17-7-14(27-11-24)8-18(21-17)16-6-13(26-10-23)2-4-20-16;1-7(19)10(8(2)20)15-17-12-9(6-14)11(16-18-12)13(3,4)5;17-13-8-4-3-7-12(13)16-15-11-6-2-1-5-10(11)14-9-20(18)19;1-14-10-6-2-3-7-11(10)15-16-12-8-4-5-9-13(12)17;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16;1-7(14)11(8(2)15)13-12-9-5-3-4-6-10(9)16;;;;;;;/h7-14,31-32H,2-6H2,1H3;6-9,11-16,29-30H,2-5,10H2,1H3;7*1-11H;1-5H3,(H2,15,16,17,18,19,20);1-8H,9H2,(H2-,14,15,16,17,18,19);2-9H,1H3,(H-,14,15,16,17);1-8,15-16H;3-6,14,16H,1-2H3;;;;;;;/q;;;;;;;;;;2*-1;;;;;;3*+1;+2/p-4
InChIKeyOYPLICCCKOTNPM-UHFFFAOYSA-J
MW5418.15 g/mol
LogP43.41
Rot. Bonds88

About 3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate

3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate (PubChem CID 160635226) has the molecular formula C238H184F2N42O55Ru7S5- and a molecular weight of 5418.15 g/mol. Its IUPAC name is 3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate.

Molecular Properties

Compound Name3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate
PubChem CID160635226
Molecular FormulaC238H184F2N42O55Ru7S5-
Molecular Weight5418.15 g/mol
Exact Mass5420.48
IUPAC Name3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate
SMILESCC(=O)C(/N=N\c1[n-]nc(C(C)(C)C)c1C#N)=C(C)O.CC(=O)C(N=Nc1ccccc1O)=C(C)O.CCCCCCc1ccsc1-c1nc(-c2cc(F)ccc2O)nc(-c2cc(F)ccc2O)n1.CCCCCCc1ccsc1-c1nc(-c2ccccc2O)nc(-c2ccccc2O)n1.C[N-]c1ccccc1N=Nc1ccccc1O.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=S([O-])C[N-]c1ccccc1N=Nc1ccccc1O.[Ru+2].[Ru+].[Ru+].[Ru+].[Ru].[Ru].[Ru].[S-]c1ccccc1N=Nc1ccccc1[S-]
InChIInChI=1S/C25H23F2N3O2S.C25H25N3O2S.7C18H11N3O6.C13H17N5O2.C13H12N3O3S.C13H12N3O.C12H10N2S2.C11H12N2O3.7Ru/c1-2-3-4-5-6-15-11-12-33-22(15)25-29-23(18-13-16(26)7-9-20(18)31)28-24(30-25)19-14-17(27)8-10-21(19)32;1-2-3-4-5-10-17-15-16-31-22(17)25-27-23(18-11-6-8-13-20(18)29)26-24(28-25)19-12-7-9-14-21(19)30;7*22-9-25-12-1-3-19-15(5-12)17-7-14(27-11-24)8-18(21-17)16-6-13(26-10-23)2-4-20-16;1-7(19)10(8(2)20)15-17-12-9(6-14)11(16-18-12)13(3,4)5;17-13-8-4-3-7-12(13)16-15-11-6-2-1-5-10(11)14-9-20(18)19;1-14-10-6-2-3-7-11(10)15-16-12-8-4-5-9-13(12)17;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16;1-7(14)11(8(2)15)13-12-9-5-3-4-6-10(9)16;;;;;;;/h7-14,31-32H,2-6H2,1H3;6-9,11-16,29-30H,2-5,10H2,1H3;7*1-11H;1-5H3,(H2,15,16,17,18,19,20);1-8H,9H2,(H2-,14,15,16,17,18,19);2-9H,1H3,(H-,14,15,16,17);1-8,15-16H;3-6,14,16H,1-2H3;;;;;;;/q;;;;;;;;;;2*-1;;;;;;3*+1;+2/p-4
InChIKeyOYPLICCCKOTNPM-UHFFFAOYSA-J
XLogP43.41
TPSA1359.25 Ų
H-Bond Donors9
H-Bond Acceptors98
Rotatable Bonds88
Heavy Atoms349
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005418.15
LogP ≤ 543.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1098

Analyze 3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate with MolForge

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Related Compounds

[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;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-4-(3-hexylthiophen-2-yl)pyrimidine;[(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-phenylethenyl]-6-[4-[(E)-2-formyloxy-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-phenylethenyl] formate;tris(4-nonyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-octyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;pentakis(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;pentaisothiocyanate
CID 160893071
4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);bis([2-[4-(3-formyloxyphenyl)-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[6-(3-hexylthiophen-2-yl)-2-(2-hydroxyphenyl)pyrimidin-4-yl]phenol;2-[4-(5-hexylthiophen-2-yl)-6-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-pyridinyl]-4-(trifluoromethyl)phenol;6-hydroxy-5-[(2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrimidine-2,4-dione;3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]-3-phenylprop-2-enenitrile;methane;4-octyl-2-(pyrazol-2-id-3-yldiazenyl)phenol;ruthenium;ruthenium(1+)
CID 161719916
2-[4-(2,2-Dimethylpropoxy)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;2-[4-dodecyl-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-fluoro-2-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)pyrimidin-4-yl]phenol;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[6-(3-hexylthiophen-2-yl)-2-(2-hydroxyphenyl)pyrimidin-4-yl]phenol;ruthenium
CID 157063024
2-[4-(2,4-difluorobenzene-6-id-1-yl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;[(1Z,3E)-3-formyloxy-1-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]penta-1,3-dienyl]azanide;tetrakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[C-hexyl-N-(2-hydroxyphenyl)carbonimidoyl]phenol;4-hydroxy-3-[N-(2-hydroxyphenyl)-C-phenylcarbonimidoyl]benzonitrile;4-hydroxy-3-[[(2-hydroxyphenyl)-phenylmethylidene]amino]benzonitrile;2-[N-(2-hydroxyphenyl)-C-phenylcarbonimidoyl]phenol;ruthenium;bis(ruthenium(1+))
CID 162205698

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate?
The IUPAC name of 3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate (CID 160635226) is 3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate.
What is the SMILES notation for 3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate?
The canonical SMILES for 3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate is CC(=O)C(/N=N\c1[n-]nc(C(C)(C)C)c1C#N)=C(C)O.CC(=O)C(N=Nc1ccccc1O)=C(C)O.CCCCCCc1ccsc1-c1nc(-c2cc(F)ccc2O)nc(-c2cc(F)ccc2O)n1.CCCCCCc1ccsc1-c1nc(-c2ccccc2O)nc(-c2ccccc2O)n1.C[N-]c1ccccc1N=Nc1ccccc1O.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(OC=O)ccn3)n2)c1.O=S([O-])C[N-]c1ccccc1N=Nc1ccccc1O.[Ru+2].[Ru+].[Ru+].[Ru+].[Ru].[Ru].[Ru].[S-]c1ccccc1N=Nc1ccccc1[S-].
What is the InChIKey of 3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate?
The InChIKey is OYPLICCCKOTNPM-UHFFFAOYSA-J. The full InChI is InChI=1S/C25H23F2N3O2S.C25H25N3O2S.7C18H11N3O6.C13H17N5O2.C13H12N3O3S.C13H12N3O.C12H10N2S2.C11H12N2O3.7Ru/c1-2-3-4-5-6-15-11-12-33-22(15)25-29-23(18-13-16(26)7-9-20(18)31)28-24(30-25)19-14-17(27)8-10-21(19)32;1-2-3-4-5-10-17-15-16-31-22(17)25-27-23(18-11-6-8-13-20(18)29)26-24(28-25)19-12-7-9-14-21(19)30;7*22-9-25-12-1-3-19-15(5-12)17-7-14(27-11-24)8-18(21-17)16-6-13(26-10-23)2-4-20-16;1-7(19)10(8(2)20)15-17-12-9(6-14)11(16-18-12)13(3,4)5;17-13-8-4-3-7-12(13)16-15-11-6-2-1-5-10(11)14-9-20(18)19;1-14-10-6-2-3-7-11(10)15-16-12-8-4-5-9-13(12)17;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16;1-7(14)11(8(2)15)13-12-9-5-3-4-6-10(9)16;;;;;;;/h7-14,31-32H,2-6H2,1H3;6-9,11-16,29-30H,2-5,10H2,1H3;7*1-11H;1-5H3,(H2,15,16,17,18,19,20);1-8H,9H2,(H2-,14,15,16,17,18,19);2-9H,1H3,(H-,14,15,16,17);1-8,15-16H;3-6,14,16H,1-2H3;;;;;;;/q;;;;;;;;;;2*-1;;;;;;3*+1;+2/p-4.
What are the key properties of 3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate?
3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate has a molecular weight of 5418.15 g/mol, XLogP of 43.41, 88 rotatable bonds, 9 hydrogen bond donors, and 98 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]pyrazol-1-ide-4-carbonitrile;4-fluoro-2-[4-(5-fluoro-2-hydroxyphenyl)-6-(3-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]phenol;heptakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);2-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol;4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]pent-3-en-2-one;[2-[(2-hydroxyphenyl)diazenyl]phenyl]azanidylmethanesulfinate;[2-[(2-hydroxyphenyl)diazenyl]phenyl]-methylazanide;ruthenium;tris(ruthenium(1+));ruthenium(2+);2-[(2-sulfidophenyl)diazenyl]benzenethiolate is sourced from PubChem (CID 160635226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).