[(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate

C158H97F9N24O20Ru3S7 — CID 158730706

About [(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate

[(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate (PubChem CID 158730706) has the molecular formula C158H97F9N24O20Ru3S7 and a molecular weight of 3350.32 g/mol. Its IUPAC name is [(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate.

Molecular Properties

• Compound Name: [(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate
• PubChem CID: 158730706
• Molecular Formula: C158H97F9N24O20Ru3S7
• Molecular Weight: 3350.32 g/mol
• Exact Mass: 3350.23
• IUPAC Name: [(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate
• SMILES: 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.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4oc5ccccc5c4c3)cc2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4sc5ccccc5c4c3)cc2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(N(c3cccs3)c3cccs3)cc2)ccn1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2]
• InChI: InChI=1S/C39H24F3N4O2.C39H24F3N4S2.C23H16F3N4S2.3C18H11N3O6.3CNS.3Ru/c2*40-39(41,42)38(44)22-32(43)33-19-24(17-18-45-33)23-9-11-25(12-10-23)46(26-14-16-36-31(20-26)29-6-2-4-8-35(29)47-36)27-13-15-30-28-5-1-3-7-34(28)48-37(30)21-27;24-23(25,26)20(28)14-18(27)19-13-16(9-10-29-19)15-5-7-17(8-6-15)30(21-3-1-11-31-21)22-4-2-12-32-22;3*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;3*2-1-3;;;/h2*1-22,43-44H;1-14,27-28H;3*1-11H;;;;;;/q3*-1;;;;3*-1;3*+2/b2*32-22-,44-38-;18-14-,28-20-
• InChIKey: ILBHKCGFYBZMOR-SOYWHPFHSA-N
• XLogP: 40.64
• TPSA: 637.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 45
• Rotatable Bonds: 42
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3350.32
LogP ≤ 5	40.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate?

The IUPAC name of [(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate (CID 158730706) is [(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate.

What is the SMILES notation for [(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate?

The canonical SMILES for [(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate is 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.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4oc5ccccc5c4c3)cc2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4sc5ccccc5c4c3)cc2)ccn1)C(F)(F)F.[H]/N=C(/C=C(\[NH-])c1cc(-c2ccc(N(c3cccs3)c3cccs3)cc2)ccn1)C(F)(F)F.[N-]=C=S.[N-]=C=S.[N-]=C=S.[Ru+2].[Ru+2].[Ru+2].

What is the InChIKey of [(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate?

The InChIKey is ILBHKCGFYBZMOR-SOYWHPFHSA-N. The full InChI is InChI=1S/C39H24F3N4O2.C39H24F3N4S2.C23H16F3N4S2.3C18H11N3O6.3CNS.3Ru/c2*40-39(41,42)38(44)22-32(43)33-19-24(17-18-45-33)23-9-11-25(12-10-23)46(26-14-16-36-31(20-26)29-6-2-4-8-35(29)47-36)27-13-15-30-28-5-1-3-7-34(28)48-37(30)21-27;24-23(25,26)20(28)14-18(27)19-13-16(9-10-29-19)15-5-7-17(8-6-15)30(21-3-1-11-31-21)22-4-2-12-32-22;3*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;3*2-1-3;;;/h2*1-22,43-44H;1-14,27-28H;3*1-11H;;;;;;/q3*-1;;;;3*-1;3*+2/b2*32-22-,44-38-;18-14-,28-20-;;;;;;;;;.

What are the key properties of [(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate?

[(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate has a molecular weight of 3350.32 g/mol, XLogP of 40.64, 42 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-1-[4-[4-[dibenzofuran-2-yl(dibenzofuran-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-[4-[4-(dithiophen-2-ylamino)phenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;tris([2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate);tris(ruthenium(2+));triisothiocyanate is sourced from PubChem (CID 158730706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).