[(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+)

C52H46F6N9O4RuS- — CID 145055275

About [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+)

[(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+) (PubChem CID 145055275) has the molecular formula C52H46F6N9O4RuS- and a molecular weight of 1108.12 g/mol. Its IUPAC name is [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+).

Molecular Properties

• Compound Name: [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+)
• PubChem CID: 145055275
• Molecular Formula: C52H46F6N9O4RuS-
• Molecular Weight: 1108.12 g/mol
• Exact Mass: 1108.23
• IUPAC Name: [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+)
• SMILES: O=C(O)c1ccnc(-c2cc(C(=O)O)cc(C3C=C(N(c4ccccc4)c4ccccc4)C=C[N-]3)n2)c1.[H]/N=C(/C=C(/[NH-])c1cc(-c2sccc2CCCCCC)cc(/C([NH-])=C/C(N)C(F)(F)F)n1)C(F)(F)F.[Ru+2]
• InChI: InChI=1S/C29H21N4O4.C23H25F6N5S.Ru/c34-28(35)19-11-13-30-24(15-19)26-16-20(29(36)37)17-27(32-26)25-18-23(12-14-31-25)33(21-7-3-1-4-8-21)22-9-5-2-6-10-22;1-2-3-4-5-6-13-7-8-35-21(13)14-9-17(15(30)11-19(32)22(24,25)26)34-18(10-14)16(31)12-20(33)23(27,28)29;/h1-18,25H,(H,34,35)(H,36,37);7-12,19,30-31,33H,2-6,32H2,1H3;/q-1;-2;+2/b;15-11-,16-12+,33-20-
• InChIKey: FNPOCWOCWXZTJH-PUKRZIDFSA-N
• XLogP: 14.39
• TPSA: 228.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1108.12
LogP ≤ 5	14.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'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)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+)?

The IUPAC name of [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+) (CID 145055275) is [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+).

What is the SMILES notation for [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+)?

The canonical SMILES for [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+) is O=C(O)c1ccnc(-c2cc(C(=O)O)cc(C3C=C(N(c4ccccc4)c4ccccc4)C=C[N-]3)n2)c1.[H]/N=C(/C=C(/[NH-])c1cc(-c2sccc2CCCCCC)cc(/C([NH-])=C/C(N)C(F)(F)F)n1)C(F)(F)F.[Ru+2].

What is the InChIKey of [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+)?

The InChIKey is FNPOCWOCWXZTJH-PUKRZIDFSA-N. The full InChI is InChI=1S/C29H21N4O4.C23H25F6N5S.Ru/c34-28(35)19-11-13-30-24(15-19)26-16-20(29(36)37)17-27(32-26)25-18-23(12-14-31-25)33(21-7-3-1-4-8-21)22-9-5-2-6-10-22;1-2-3-4-5-6-13-7-8-35-21(13)14-9-17(15(30)11-19(32)22(24,25)26)34-18(10-14)16(31)12-20(33)23(27,28)29;/h1-18,25H,(H,34,35)(H,36,37);7-12,19,30-31,33H,2-6,32H2,1H3;/q-1;-2;+2/b;15-11-,16-12+,33-20-;.

What are the key properties of [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+)?

[(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+) has a molecular weight of 1108.12 g/mol, XLogP of 14.39, 17 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(3-hexylthiophen-2-yl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;2-(4-carboxy-2-pyridinyl)-6-[4-(N-phenylanilino)-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid;ruthenium(2+) is sourced from PubChem (CID 145055275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).