chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C50H46ClF3N6RuS — CID 140780338

About chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 140780338) has the molecular formula C50H46ClF3N6RuS and a molecular weight of 956.54 g/mol. Its IUPAC name is chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 140780338
• Molecular Formula: C50H46ClF3N6RuS
• Molecular Weight: 956.54 g/mol
• Exact Mass: 956.22
• IUPAC Name: chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCc1ccnc(-c2cc(CC)cc(-c3cc(/C=C/c4ccc5ccccc5c4)ccn3)n2)c1.Cl[Ru+]
• InChI: InChI=1S/C31H27N3.C19H19F3N3S.ClH.Ru/c1-3-22-13-15-32-28(18-22)30-19-23(4-2)20-31(34-30)29-21-25(14-16-33-29)10-9-24-11-12-26-7-5-6-8-27(26)17-24;1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-23-15(11-14)16-12-17(25-24-16)19(20,21)22;;/h5-21H,3-4H2,1-2H3;7-12H,2-6H2,1H3;1H;/q;-1;;+2/p-1/b10-9+
• InChIKey: RSKKFOOXUHGRDJ-WCVSPGPUSA-M
• XLogP: 14.31
• TPSA: 78.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.54
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 140780338) is chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CCCCCCc1ccsc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCc1ccnc(-c2cc(CC)cc(-c3cc(/C=C/c4ccc5ccccc5c4)ccn3)n2)c1.Cl[Ru+].

What is the InChIKey of chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is RSKKFOOXUHGRDJ-WCVSPGPUSA-M. The full InChI is InChI=1S/C31H27N3.C19H19F3N3S.ClH.Ru/c1-3-22-13-15-32-28(18-22)30-19-23(4-2)20-31(34-30)29-21-25(14-16-33-29)10-9-24-11-12-26-7-5-6-8-27(26)17-24;1-2-3-4-5-6-13-8-10-26-18(13)14-7-9-23-15(11-14)16-12-17(25-24-16)19(20,21)22;;/h5-21H,3-4H2,1-2H3;7-12H,2-6H2,1H3;1H;/q;-1;;+2/p-1/b10-9+;;;.

What are the key properties of chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 956.54 g/mol, XLogP of 14.31, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[(E)-2-naphthalen-2-ylethenyl]-2-pyridinyl]pyridine;4-(3-hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 140780338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).