chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide

C47H46ClF3N6RuS3 — CID 153435266

About chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide

chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide (PubChem CID 153435266) has the molecular formula C47H46ClF3N6RuS3 and a molecular weight of 984.64 g/mol. Its IUPAC name is chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide.

Molecular Properties

• Compound Name: chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide
• PubChem CID: 153435266
• Molecular Formula: C47H46ClF3N6RuS3
• Molecular Weight: 984.64 g/mol
• Exact Mass: 984.16
• IUPAC Name: chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide
• SMILES: CCc1ccnc(-c2cc(CC)cc(-c3cc(-c4ccc(-c5ccc(C)s5)s4)ccn3)n2)c1.Cl[Ru+].[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F
• InChI: InChI=1S/C28H25N3S2.C19H21F3N3S.ClH.Ru/c1-4-19-10-12-29-22(14-19)24-15-20(5-2)16-25(31-24)23-17-21(11-13-30-23)26-8-9-28(33-26)27-7-6-18(3)32-27;1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-25-16(11-14)15(23)12-17(24)19(20,21)22;;/h6-17H,4-5H2,1-3H3;7-12,23-24H,2-6H2,1H3;1H;/q;-1;;+2/p-1/b;15-12-,24-17-
• InChIKey: DWBUQSPZGGNSDC-NQAHWAGXSA-M
• XLogP: 15.69
• TPSA: 99.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.64
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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 chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide?

The IUPAC name of chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide (CID 153435266) is chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide.

What is the SMILES notation for chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide?

The canonical SMILES for chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide is CCc1ccnc(-c2cc(CC)cc(-c3cc(-c4ccc(-c5ccc(C)s5)s4)ccn3)n2)c1.Cl[Ru+].[H]/N=C(/C=C(\[NH-])c1cc(-c2sccc2CCCCCC)ccn1)C(F)(F)F.

What is the InChIKey of chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide?

The InChIKey is DWBUQSPZGGNSDC-NQAHWAGXSA-M. The full InChI is InChI=1S/C28H25N3S2.C19H21F3N3S.ClH.Ru/c1-4-19-10-12-29-22(14-19)24-15-20(5-2)16-25(31-24)23-17-21(11-13-30-23)26-8-9-28(33-26)27-7-6-18(3)32-27;1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-25-16(11-14)15(23)12-17(24)19(20,21)22;;/h6-17H,4-5H2,1-3H3;7-12,23-24H,2-6H2,1H3;1H;/q;-1;;+2/p-1/b;15-12-,24-17-;;.

What are the key properties of chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide?

chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide has a molecular weight of 984.64 g/mol, XLogP of 15.69, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-enyl]azanide is sourced from PubChem (CID 153435266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).