2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide

C202H157F17N35O37Ru5S4 — CID 158784918

IUPAC2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide
SMILESCCCCCCc1ccsc1-c1cc(-c2cc(C(F)(F)F)ccc2O)nc(-c2cc(C(F)(F)F)ccc2O)n1.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.Oc1ccccc1-c1nc(-c2ccccc2O)c(F)nc1F.[H]/N=C(/C=[C-]\Nc1nc(-c2ccccc2O)nc(-c2sccc2CCCCCC)n1)C(F)(F)F.[H]/N=C(/N=C(/[NH-])c1nc(-c2ccccc2O)nc(-c2sccc2CCCCCC)n1)C(F)(F)F.[H]/N=C(\C=C(/[NH-])c1nc(-c2ccccc2O)nc(-c2sccc2CCCCCC)n1)C(F)(F)F.[Ru+].[Ru+].[Ru+].[Ru].[Ru]
InChIInChI=1S/C28H24F6N2O2S.2C23H23F3N5OS.C22H22F3N6OS.5C18H11N3O6.C16H10F2N2O2.5Ru/c1-2-3-4-5-6-16-11-12-39-25(16)22-15-21(19-13-17(27(29,30)31)7-9-23(19)37)35-26(36-22)20-14-18(28(32,33)34)8-10-24(20)38;1-2-3-4-5-8-15-12-14-33-19(15)21-29-20(16-9-6-7-10-17(16)32)30-22(31-21)28-13-11-18(27)23(24,25)26;1-2-3-4-5-8-14-11-12-33-19(14)22-30-20(15-9-6-7-10-17(15)32)29-21(31-22)16(27)13-18(28)23(24,25)26;1-2-3-4-5-8-13-11-12-33-16(13)19-29-18(14-9-6-7-10-15(14)32)30-20(31-19)17(26)28-21(27)22(23,24)25;5*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;17-15-13(9-5-1-3-7-11(9)21)19-14(16(18)20-15)10-6-2-4-8-12(10)22;;;;;/h7-15,37-38H,2-6H2,1H3;6-7,9-12,14,27,32H,2-5,8H2,1H3,(H,28,29,30,31);6-7,9-13H,2-5,8H2,1H3,(H3-,27,28,29,30,31,32);6-7,9-12H,2-5,8H2,1H3,(H3-,26,27,28,29,30,31,32);5*1-11H;1-8,21-22H;;;;;/q;3*-1;;;;;;;;;3*+1/b;27-18-;;;;;;;;;;;;;
InChIKeyOWJMRRDSTODTFU-QKYYIDCCSA-N
MW4623.27 g/mol
LogP41.57
Rot. Bonds77

About 2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide

2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide (PubChem CID 158784918) has the molecular formula C202H157F17N35O37Ru5S4 and a molecular weight of 4623.27 g/mol. Its IUPAC name is 2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide.

Molecular Properties

Compound Name2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide
PubChem CID158784918
Molecular FormulaC202H157F17N35O37Ru5S4
Molecular Weight4623.27 g/mol
Exact Mass4624.53
IUPAC Name2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide
SMILESCCCCCCc1ccsc1-c1cc(-c2cc(C(F)(F)F)ccc2O)nc(-c2cc(C(F)(F)F)ccc2O)n1.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.Oc1ccccc1-c1nc(-c2ccccc2O)c(F)nc1F.[H]/N=C(/C=[C-]\Nc1nc(-c2ccccc2O)nc(-c2sccc2CCCCCC)n1)C(F)(F)F.[H]/N=C(/N=C(/[NH-])c1nc(-c2ccccc2O)nc(-c2sccc2CCCCCC)n1)C(F)(F)F.[H]/N=C(\C=C(/[NH-])c1nc(-c2ccccc2O)nc(-c2sccc2CCCCCC)n1)C(F)(F)F.[Ru+].[Ru+].[Ru+].[Ru].[Ru]
InChIInChI=1S/C28H24F6N2O2S.2C23H23F3N5OS.C22H22F3N6OS.5C18H11N3O6.C16H10F2N2O2.5Ru/c1-2-3-4-5-6-16-11-12-39-25(16)22-15-21(19-13-17(27(29,30)31)7-9-23(19)37)35-26(36-22)20-14-18(28(32,33)34)8-10-24(20)38;1-2-3-4-5-8-15-12-14-33-19(15)21-29-20(16-9-6-7-10-17(16)32)30-22(31-21)28-13-11-18(27)23(24,25)26;1-2-3-4-5-8-14-11-12-33-19(14)22-30-20(15-9-6-7-10-17(15)32)29-21(31-22)16(27)13-18(28)23(24,25)26;1-2-3-4-5-8-13-11-12-33-16(13)19-29-18(14-9-6-7-10-15(14)32)30-20(31-19)17(26)28-21(27)22(23,24)25;5*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;17-15-13(9-5-1-3-7-11(9)21)19-14(16(18)20-15)10-6-2-4-8-12(10)22;;;;;/h7-15,37-38H,2-6H2,1H3;6-7,9-12,14,27,32H,2-5,8H2,1H3,(H,28,29,30,31);6-7,9-13H,2-5,8H2,1H3,(H3-,27,28,29,30,31,32);6-7,9-12H,2-5,8H2,1H3,(H3-,26,27,28,29,30,31,32);5*1-11H;1-8,21-22H;;;;;/q;3*-1;;;;;;;;;3*+1/b;27-18-;;;;;;;;;;;;;
InChIKeyOWJMRRDSTODTFU-QKYYIDCCSA-N
XLogP41.57
TPSA1040.57 Ų
H-Bond Donors11
H-Bond Acceptors73
Rotatable Bonds77
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004623.27
LogP ≤ 541.57
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1073

Analyze 2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide with MolForge

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Related Compounds

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
CID 157658151
CID 157658151
[(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
CID 158791904
CID 158791904
CID 158978517
CID 158978517
[(Z)-1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[2-[4-formyloxy-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;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;tris(4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(ruthenium(2+));3-(trifluoromethyl)pyrazol-1-ide;tetraisothiocyanate
CID 159554322
CID 159825498
CID 159825498
CID 159851717
CID 159851717
N,N-bis(4-tert-butylphenyl)-4-[2-(4-methylbenzene-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;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;pentakis(2-[2-[4-formyloxy-6-[4-(2-formyloxyethynyl)-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethynyl formate);4-(3-hexylthiophen-2-yl)-2-[4-(3-hexylthiophen-2-yl)benzene-6-id-1-yl]pyrimidine;4-(3-hexylthiophen-2-yl)-2-(4-methylbenzene-6-id-1-yl)pyrimidine;2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyrimidin-4-amine;2-(4-methylbenzene-6-id-1-yl)-N,N-bis(4-pentylphenyl)pyrimidin-5-amine;hexakis(ruthenium(2+));hexaisothiocyanate
CID 160297472

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide?
The IUPAC name of 2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide (CID 158784918) is 2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide.
What is the SMILES notation for 2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide?
The canonical SMILES for 2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide is CCCCCCc1ccsc1-c1cc(-c2cc(C(F)(F)F)ccc2O)nc(-c2cc(C(F)(F)F)ccc2O)n1.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.Oc1ccccc1-c1nc(-c2ccccc2O)c(F)nc1F.[H]/N=C(/C=[C-]\Nc1nc(-c2ccccc2O)nc(-c2sccc2CCCCCC)n1)C(F)(F)F.[H]/N=C(/N=C(/[NH-])c1nc(-c2ccccc2O)nc(-c2sccc2CCCCCC)n1)C(F)(F)F.[H]/N=C(\C=C(/[NH-])c1nc(-c2ccccc2O)nc(-c2sccc2CCCCCC)n1)C(F)(F)F.[Ru+].[Ru+].[Ru+].[Ru].[Ru].
What is the InChIKey of 2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide?
The InChIKey is OWJMRRDSTODTFU-QKYYIDCCSA-N. The full InChI is InChI=1S/C28H24F6N2O2S.2C23H23F3N5OS.C22H22F3N6OS.5C18H11N3O6.C16H10F2N2O2.5Ru/c1-2-3-4-5-6-16-11-12-39-25(16)22-15-21(19-13-17(27(29,30)31)7-9-23(19)37)35-26(36-22)20-14-18(28(32,33)34)8-10-24(20)38;1-2-3-4-5-8-15-12-14-33-19(15)21-29-20(16-9-6-7-10-17(16)32)30-22(31-21)28-13-11-18(27)23(24,25)26;1-2-3-4-5-8-14-11-12-33-19(14)22-30-20(15-9-6-7-10-17(15)32)29-21(31-22)16(27)13-18(28)23(24,25)26;1-2-3-4-5-8-13-11-12-33-16(13)19-29-18(14-9-6-7-10-15(14)32)30-20(31-19)17(26)28-21(27)22(23,24)25;5*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;17-15-13(9-5-1-3-7-11(9)21)19-14(16(18)20-15)10-6-2-4-8-12(10)22;;;;;/h7-15,37-38H,2-6H2,1H3;6-7,9-12,14,27,32H,2-5,8H2,1H3,(H,28,29,30,31);6-7,9-13H,2-5,8H2,1H3,(H3-,27,28,29,30,31,32);6-7,9-12H,2-5,8H2,1H3,(H3-,26,27,28,29,30,31,32);5*1-11H;1-8,21-22H;;;;;/q;3*-1;;;;;;;;;3*+1/b;27-18-;;;;;;;;;;;;;.
What are the key properties of 2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide?
2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide has a molecular weight of 4623.27 g/mol, XLogP of 41.57, 77 rotatable bonds, 11 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol;pentakis([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);[C-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;2-[6-(3-hexylthiophen-2-yl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-(trifluoromethyl)phenol;2-[4-(3-hexylthiophen-2-yl)-6-[(4,4,4-trifluoro-3-iminobut-1-enyl)amino]-1,3,5-triazin-2-yl]phenol;ruthenium;tris(ruthenium(1+));[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-iminobut-1-enyl]azanide is sourced from PubChem (CID 158784918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).