[(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+)

C61H60F6N9O7Ru-2 — CID 145054983

IUPAC[(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+)
SMILESC/C=C(\C=C(/[NH-])c1cc(C(=O)O)cc(C2C=C(c3ccc(N(c4ccccc4)c4ccccc4)o3)C=C[N-]2)n1)C(=O)O.CCCCCCCCOc1cccc(OC)c1-c1cc(/C([NH-])=C/C(N)C(F)(F)F)nc(/C([NH-])=C\C([NH-])C(F)(F)F)c1.[Ru+3]
InChIInChI=1S/C33H26N4O5.C28H34F6N5O2.Ru/c1-2-21(32(38)39)17-26(34)27-19-23(33(40)41)20-29(36-27)28-18-22(15-16-35-28)30-13-14-31(42-30)37(24-9-5-3-6-10-24)25-11-7-4-8-12-25;1-3-4-5-6-7-8-12-41-23-11-9-10-22(40-2)26(23)17-13-20(18(35)15-24(37)27(29,30)31)39-21(14-17)19(36)16-25(38)28(32,33)34;/h2-20,28,34H,1H3,(H,38,39)(H,40,41);9-11,13-16,24-25,35-37H,3-8,12,38H2,1-2H3;/q-2;-3;+3/b21-2+,26-17-;18-15+,19-16-;
InChIKeySGZZFCVGMRNKLI-VQJOLSCISA-N
MW1246.26 g/mol
LogP17.45
Rot. Bonds23

About [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+)

[(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+) (PubChem CID 145054983) has the molecular formula C61H60F6N9O7Ru-2 and a molecular weight of 1246.26 g/mol. Its IUPAC name is [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+).

Molecular Properties

Compound Name[(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+)
PubChem CID145054983
Molecular FormulaC61H60F6N9O7Ru-2
Molecular Weight1246.26 g/mol
Exact Mass1246.36
IUPAC Name[(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+)
SMILESC/C=C(\C=C(/[NH-])c1cc(C(=O)O)cc(C2C=C(c3ccc(N(c4ccccc4)c4ccccc4)o3)C=C[N-]2)n1)C(=O)O.CCCCCCCCOc1cccc(OC)c1-c1cc(/C([NH-])=C/C(N)C(F)(F)F)nc(/C([NH-])=C\C([NH-])C(F)(F)F)c1.[Ru+3]
InChIInChI=1S/C33H26N4O5.C28H34F6N5O2.Ru/c1-2-21(32(38)39)17-26(34)27-19-23(33(40)41)20-29(36-27)28-18-22(15-16-35-28)30-13-14-31(42-30)37(24-9-5-3-6-10-24)25-11-7-4-8-12-25;1-3-4-5-6-7-8-12-41-23-11-9-10-22(40-2)26(23)17-13-20(18(35)15-24(37)27(29,30)31)39-21(14-17)19(36)16-25(38)28(32,33)34;/h2-20,28,34H,1H3,(H,38,39)(H,40,41);9-11,13-16,24-25,35-37H,3-8,12,38H2,1-2H3;/q-2;-3;+3/b21-2+,26-17-;18-15+,19-16-;
InChIKeySGZZFCVGMRNKLI-VQJOLSCISA-N
XLogP17.45
TPSA270.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001246.26
LogP ≤ 517.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+) with MolForge

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Launch Full Analysis

Related Compounds

2-(4-carboxy-2-pyridinyl)-6-[4-[5-(N-(6-methylcyclohexa-1,2,3-trien-1-yl)anilino)furan-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid;ruthenium(3+);[(Z)-4,4,4-trifluoro-3-(methylamino)-1-(4-phenyl-2H-pyridin-1-id-6-yl)but-1-enyl]azanide;isothiocyanate
CID 145054973

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+)?
The IUPAC name of [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+) (CID 145054983) is [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+).
What is the SMILES notation for [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+)?
The canonical SMILES for [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+) is C/C=C(\C=C(/[NH-])c1cc(C(=O)O)cc(C2C=C(c3ccc(N(c4ccccc4)c4ccccc4)o3)C=C[N-]2)n1)C(=O)O.CCCCCCCCOc1cccc(OC)c1-c1cc(/C([NH-])=C/C(N)C(F)(F)F)nc(/C([NH-])=C\C([NH-])C(F)(F)F)c1.[Ru+3].
What is the InChIKey of [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+)?
The InChIKey is SGZZFCVGMRNKLI-VQJOLSCISA-N. The full InChI is InChI=1S/C33H26N4O5.C28H34F6N5O2.Ru/c1-2-21(32(38)39)17-26(34)27-19-23(33(40)41)20-29(36-27)28-18-22(15-16-35-28)30-13-14-31(42-30)37(24-9-5-3-6-10-24)25-11-7-4-8-12-25;1-3-4-5-6-7-8-12-41-23-11-9-10-22(40-2)26(23)17-13-20(18(35)15-24(37)27(29,30)31)39-21(14-17)19(36)16-25(38)28(32,33)34;/h2-20,28,34H,1H3,(H,38,39)(H,40,41);9-11,13-16,24-25,35-37H,3-8,12,38H2,1-2H3;/q-2;-3;+3/b21-2+,26-17-;18-15+,19-16-;.
What are the key properties of [(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+)?
[(Z)-1-[6-[(Z)-3-amino-1-azanidyl-4,4,4-trifluorobut-1-enyl]-4-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+) has a molecular weight of 1246.26 g/mol, XLogP of 17.45, 23 rotatable bonds, 3 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-(2-methoxy-6-octoxyphenyl)-2-pyridinyl]-3-azanidyl-4,4,4-trifluorobut-1-enyl]azanide;[(1Z,3E)-3-carboxy-1-[4-carboxy-6-[4-[5-(N-phenylanilino)furan-2-yl]-2H-pyridin-1-id-2-yl]-2-pyridinyl]penta-1,3-dienyl]azanide;ruthenium(3+) is sourced from PubChem (CID 145054983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).