[2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)

C65H63F6N9O4RuS — CID 140780433

About [2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)

[2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) (PubChem CID 140780433) has the molecular formula C65H63F6N9O4RuS and a molecular weight of 1281.40 g/mol. Its IUPAC name is [2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+).

Molecular Properties

• Compound Name: [2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
• PubChem CID: 140780433
• Molecular Formula: C65H63F6N9O4RuS
• Molecular Weight: 1281.40 g/mol
• Exact Mass: 1281.37
• IUPAC Name: [2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(/C=C/c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)cc1.CCCCC(CC)CCc1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.[Ru+2]
• InChI: InChI=1S/C43H40N4O4S.C22H23F6N5.Ru/c1-42(2,3)30-8-12-32(13-9-30)47(33-14-10-31(11-15-33)43(4,5)6)41-18-17-36(52-41)16-7-29-19-21-44-37(23-29)39-25-35(51-28-49)26-40(46-39)38-24-34(50-27-48)20-22-45-38;1-3-5-6-13(4-2)7-8-14-9-15(17-11-19(32-30-17)21(23,24)25)29-16(10-14)18-12-20(33-31-18)22(26,27)28;/h7-28H,1-6H3;9-13H,3-8H2,1-2H3;/q;-2;+2/b16-7+
• InChIKey: PEGYCUBVNUPHJN-WHYKZYOGSA-N
• XLogP: 16.88
• TPSA: 161.38 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1281.40
LogP ≤ 5	16.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

The IUPAC name of [2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) (CID 140780433) is [2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+).

What is the SMILES notation for [2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

The canonical SMILES for [2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(/C=C/c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)s2)cc1.CCCCC(CC)CCc1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.[Ru+2].

What is the InChIKey of [2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

The InChIKey is PEGYCUBVNUPHJN-WHYKZYOGSA-N. The full InChI is InChI=1S/C43H40N4O4S.C22H23F6N5.Ru/c1-42(2,3)30-8-12-32(13-9-30)47(33-14-10-31(11-15-33)43(4,5)6)41-18-17-36(52-41)16-7-29-19-21-44-37(23-29)39-25-35(51-28-49)26-40(46-39)38-24-34(50-27-48)20-22-45-38;1-3-5-6-13(4-2)7-8-14-9-15(17-11-19(32-30-17)21(23,24)25)29-16(10-14)18-12-20(33-31-18)22(26,27)28;/h7-28H,1-6H3;9-13H,3-8H2,1-2H3;/q;-2;+2/b16-7+;;.

What are the key properties of [2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)?

[2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) has a molecular weight of 1281.40 g/mol, XLogP of 16.88, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-[4-[(E)-2-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)thiophen-2-yl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+) is sourced from PubChem (CID 140780433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).