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+))

C193H146F2N24O39Ru5S — CID 162205698

About 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+))

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+)) (PubChem CID 162205698) has the molecular formula C193H146F2N24O39Ru5S and a molecular weight of 4000.83 g/mol. Its IUPAC name is 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+)).

Molecular Properties

• Compound Name: 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+))
• PubChem CID: 162205698
• Molecular Formula: C193H146F2N24O39Ru5S
• Molecular Weight: 4000.83 g/mol
• Exact Mass: 4002.51
• IUPAC Name: 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+))
• SMILES: C/C=C(\C=C(/[NH-])c1cc(OC=O)cc(-c2cc(OC=O)ccn2)n1)OC=O.CCCCCCC(=Nc1ccccc1O)c1ccccc1O.CCCCCCc1ccsc1-c1nc(-c2[c-]cc(F)cc2F)nc(-c2ccccc2O)n1.N#Cc1ccc(O)c(C(=Nc2ccccc2O)c2ccccc2)c1.N#Cc1ccc(O)c(N=C(c2ccccc2)c2ccccc2O)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.Oc1ccccc1N=C(c1ccccc1)c1ccccc1O.[Ru+].[Ru+].[Ru].[Ru].[Ru]
• InChI: InChI=1S/C25H22F2N3OS.2C20H14N2O2.C19H15NO2.C19H23NO2.4C18H11N3O6.C18H14N3O6.5Ru/c1-2-3-4-5-8-16-13-14-32-22(16)25-29-23(18-12-11-17(26)15-20(18)27)28-24(30-25)19-9-6-7-10-21(19)31;21-13-14-10-11-18(23)16(12-14)20(15-6-2-1-3-7-15)22-17-8-4-5-9-19(17)24;21-13-14-10-11-19(24)17(12-14)22-20(15-6-2-1-3-7-15)16-8-4-5-9-18(16)23;21-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)20-16-11-5-7-13-18(16)22;1-2-3-4-5-11-16(15-10-6-8-13-18(15)21)20-17-12-7-9-14-19(17)22;4*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;1-2-12(25-9-22)5-15(19)16-7-14(27-11-24)8-18(21-16)17-6-13(26-10-23)3-4-20-17;;;;;/h6-7,9-11,13-15,31H,2-5,8H2,1H3;2*1-12,23-24H;1-13,21-22H;6-10,12-14,21-22H,2-5,11H2,1H3;4*1-11H;2-11,19H,1H3;;;;;/q-1;;;;;;;;;-1;;;;2*+1/b;;;;;;;;;12-2+,15-5-
• InChIKey: BYBKTROHOSBDJP-QPSPQCHFSA-N
• XLogP: 34.49
• TPSA: 916.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 63
• Rotatable Bonds: 65
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4000.83
LogP ≤ 5	34.49
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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+))?

The IUPAC name of 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) is 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+)).

What is the SMILES notation for 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+))?

The canonical SMILES for 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+)) is C/C=C(\C=C(/[NH-])c1cc(OC=O)cc(-c2cc(OC=O)ccn2)n1)OC=O.CCCCCCC(=Nc1ccccc1O)c1ccccc1O.CCCCCCc1ccsc1-c1nc(-c2[c-]cc(F)cc2F)nc(-c2ccccc2O)n1.N#Cc1ccc(O)c(C(=Nc2ccccc2O)c2ccccc2)c1.N#Cc1ccc(O)c(N=C(c2ccccc2)c2ccccc2O)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.Oc1ccccc1N=C(c1ccccc1)c1ccccc1O.[Ru+].[Ru+].[Ru].[Ru].[Ru].

What is the InChIKey of 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+))?

The InChIKey is BYBKTROHOSBDJP-QPSPQCHFSA-N. The full InChI is InChI=1S/C25H22F2N3OS.2C20H14N2O2.C19H15NO2.C19H23NO2.4C18H11N3O6.C18H14N3O6.5Ru/c1-2-3-4-5-8-16-13-14-32-22(16)25-29-23(18-12-11-17(26)15-20(18)27)28-24(30-25)19-9-6-7-10-21(19)31;21-13-14-10-11-18(23)16(12-14)20(15-6-2-1-3-7-15)22-17-8-4-5-9-19(17)24;21-13-14-10-11-19(24)17(12-14)22-20(15-6-2-1-3-7-15)16-8-4-5-9-18(16)23;21-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)20-16-11-5-7-13-18(16)22;1-2-3-4-5-11-16(15-10-6-8-13-18(15)21)20-17-12-7-9-14-19(17)22;4*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;1-2-12(25-9-22)5-15(19)16-7-14(27-11-24)8-18(21-16)17-6-13(26-10-23)3-4-20-17;;;;;/h6-7,9-11,13-15,31H,2-5,8H2,1H3;2*1-12,23-24H;1-13,21-22H;6-10,12-14,21-22H,2-5,11H2,1H3;4*1-11H;2-11,19H,1H3;;;;;/q-1;;;;;;;;;-1;;;;2*+1/b;;;;;;;;;12-2+,15-5-;;;;;.

What are the key properties of 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+))?

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+)) has a molecular weight of 4000.83 g/mol, XLogP of 34.49, 65 rotatable bonds, 9 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 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+)) is sourced from PubChem (CID 162205698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).