[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+)

C64H51F6N11O6RuS — CID 140687196

About [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+)

[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+) (PubChem CID 140687196) has the molecular formula C64H51F6N11O6RuS and a molecular weight of 1317.31 g/mol. Its IUPAC name is [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+).

Molecular Properties

• Compound Name: [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+)
• PubChem CID: 140687196
• Molecular Formula: C64H51F6N11O6RuS
• Molecular Weight: 1317.31 g/mol
• Exact Mass: 1317.27
• IUPAC Name: [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+)
• SMILES: O=CO/C(=C/c1ccnc(-c2cc(/C=C(/OC=O)c3ccccn3)cc(-c3cc(/C=C(/OC=O)c4ccccn4)ccn3)n2)c1)c1ccccn1.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)cc(/C([NH-])=C/C(=N\[H])C(F)(F)F)n1)C(F)(F)F.[Ru+2]
• InChI: InChI=1S/C39H26N6O6.C25H25F6N5S.Ru/c46-24-49-37(30-7-1-4-12-40-30)21-27-10-15-43-33(17-27)35-19-29(23-39(51-26-48)32-9-3-6-14-42-32)20-36(45-35)34-18-28(11-16-44-34)22-38(50-25-47)31-8-2-5-13-41-31;1-2-3-4-5-6-16-9-10-17(37-16)8-7-15-11-20(18(32)13-22(34)24(26,27)28)36-21(12-15)19(33)14-23(35)25(29,30)31;/h1-26H;7-14,32-35H,2-6H2,1H3;/q;-2;+2/b37-21+,38-22+,39-23+;8-7+,18-13-,19-14-,34-22-,35-23+
• InChIKey: YUQNVSMRNXFWQM-NFINNMMGSA-N
• XLogP: 15.79
• TPSA: 264.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1317.31
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+)?

The IUPAC name of [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+) (CID 140687196) is [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+).

What is the SMILES notation for [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+)?

The canonical SMILES for [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+) is O=CO/C(=C/c1ccnc(-c2cc(/C=C(/OC=O)c3ccccn3)cc(-c3cc(/C=C(/OC=O)c4ccccn4)ccn3)n2)c1)c1ccccn1.[H]/N=C(/C=C(\[NH-])c1cc(/C=C/c2ccc(CCCCCC)s2)cc(/C([NH-])=C/C(=N\[H])C(F)(F)F)n1)C(F)(F)F.[Ru+2].

What is the InChIKey of [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+)?

The InChIKey is YUQNVSMRNXFWQM-NFINNMMGSA-N. The full InChI is InChI=1S/C39H26N6O6.C25H25F6N5S.Ru/c46-24-49-37(30-7-1-4-12-40-30)21-27-10-15-43-33(17-27)35-19-29(23-39(51-26-48)32-9-3-6-14-42-32)20-36(45-35)34-18-28(11-16-44-34)22-38(50-25-47)31-8-2-5-13-41-31;1-2-3-4-5-6-16-9-10-17(37-16)8-7-15-11-20(18(32)13-22(34)24(26,27)28)36-21(12-15)19(33)14-23(35)25(29,30)31;/h1-26H;7-14,32-35H,2-6H2,1H3;/q;-2;+2/b37-21+,38-22+,39-23+;8-7+,18-13-,19-14-,34-22-,35-23+;.

What are the key properties of [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+)?

[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+) has a molecular weight of 1317.31 g/mol, XLogP of 15.79, 25 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-6-[4-[(E)-2-formyloxy-2-pyridin-2-ylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-1-pyridin-2-ylethenyl] formate;ruthenium(2+) is sourced from PubChem (CID 140687196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).