[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+)

C65H68F6N8O11Ru — CID 140687338

IUPAC[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+)
SMILESCC(=O)/C(=C\c1ccnc(-c2cc(/C=C(/OC=O)C(C)=O)cc(-c3cc(/C=C(/OC=O)C(C)=O)ccn3)n2)c1)OC=O.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(/C([NH-])=C/C(=N\[H])C(F)(F)F)n1)C(F)(F)F.[Ru+2]
InChIInChI=1S/C35H45F6N5O2.C30H23N3O9.Ru/c1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-27(25(42)22-31(44)34(36,37)38)46-28(21-24)26(43)23-32(45)35(39,40)41;1-18(37)28(40-15-34)12-21-4-6-31-24(8-21)26-10-23(14-30(20(3)39)42-17-36)11-27(33-26)25-9-22(5-7-32-25)13-29(19(2)38)41-16-35;/h15-17,20-23,42-45H,3-14,18-19H2,1-2H3;4-17H,1-3H3;/q-2;;+2/b25-22-,26-23-,44-31-,45-32+;28-12+,29-13+,30-14+;
InChIKeyRLCXKZUEHNMABU-NZNFHSTFSA-N
MW1352.36 g/mol
LogP15.69
Rot. Bonds35

About [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+)

[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+) (PubChem CID 140687338) has the molecular formula C65H68F6N8O11Ru and a molecular weight of 1352.36 g/mol. Its IUPAC name is [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+).

Molecular Properties

Compound Name[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+)
PubChem CID140687338
Molecular FormulaC65H68F6N8O11Ru
Molecular Weight1352.36 g/mol
Exact Mass1352.40
IUPAC Name[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+)
SMILESCC(=O)/C(=C\c1ccnc(-c2cc(/C=C(/OC=O)C(C)=O)cc(-c3cc(/C=C(/OC=O)C(C)=O)ccn3)n2)c1)OC=O.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(/C([NH-])=C/C(=N\[H])C(F)(F)F)n1)C(F)(F)F.[Ru+2]
InChIInChI=1S/C35H45F6N5O2.C30H23N3O9.Ru/c1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-27(25(42)22-31(44)34(36,37)38)46-28(21-24)26(43)23-32(45)35(39,40)41;1-18(37)28(40-15-34)12-21-4-6-31-24(8-21)26-10-23(14-30(20(3)39)42-17-36)11-27(33-26)25-9-22(5-7-32-25)13-29(19(2)38)41-16-35;/h15-17,20-23,42-45H,3-14,18-19H2,1-2H3;4-17H,1-3H3;/q-2;;+2/b25-22-,26-23-,44-31-,45-32+;28-12+,29-13+,30-14+;
InChIKeyRLCXKZUEHNMABU-NZNFHSTFSA-N
XLogP15.69
TPSA295.43 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds35
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001352.36
LogP ≤ 515.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

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'}

Analyze [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+) with MolForge

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Launch Full Analysis

Related Compounds

[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 140687193
[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 140687324
[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 140687395
[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 140687515
[(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 153445597
[(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;ruthenium(2+)
CID 153445656
[(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 153445679
[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;[(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;ruthenium(2+)
CID 153445736
[(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+)
CID 153445742
bis([(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide);[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;tris([(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);bis([(E)-2-[2,6-bis[4-(2-formyloxyethynyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate);hexakis(ruthenium(2+));bis([(Z)-4,4,4-trifluoro-1-[4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]-3-iminobut-1-enyl]azanide);bis([(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide);tetraisothiocyanate
CID 158258712

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+)?
The IUPAC name of [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+) (CID 140687338) is [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+).
What is the SMILES notation for [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+)?
The canonical SMILES for [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+) is CC(=O)/C(=C\c1ccnc(-c2cc(/C=C(/OC=O)C(C)=O)cc(-c3cc(/C=C(/OC=O)C(C)=O)ccn3)n2)c1)OC=O.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)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-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+)?
The InChIKey is RLCXKZUEHNMABU-NZNFHSTFSA-N. The full InChI is InChI=1S/C35H45F6N5O2.C30H23N3O9.Ru/c1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-27(25(42)22-31(44)34(36,37)38)46-28(21-24)26(43)23-32(45)35(39,40)41;1-18(37)28(40-15-34)12-21-4-6-31-24(8-21)26-10-23(14-30(20(3)39)42-17-36)11-27(33-26)25-9-22(5-7-32-25)13-29(19(2)38)41-16-35;/h15-17,20-23,42-45H,3-14,18-19H2,1-2H3;4-17H,1-3H3;/q-2;;+2/b25-22-,26-23-,44-31-,45-32+;28-12+,29-13+,30-14+;.
What are the key properties of [(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+)?
[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+) has a molecular weight of 1352.36 g/mol, XLogP of 15.69, 35 rotatable bonds, 2 hydrogen bond donors, and 17 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-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+) is sourced from PubChem (CID 140687338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).