4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+)

C45H36F6N8Ru — CID 153445638

About 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+)

4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+) (PubChem CID 153445638) has the molecular formula C45H36F6N8Ru and a molecular weight of 903.90 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+).

Molecular Properties

• Compound Name: 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+)
• PubChem CID: 153445638
• Molecular Formula: C45H36F6N8Ru
• Molecular Weight: 903.90 g/mol
• Exact Mass: 904.20
• IUPAC Name: 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+)
• SMILES: C/C=C/c1ccnc(-c2cc(/C=C/C)cc(-c3cc(/C=C/C)ccn3)n2)c1.Cc1cccc(C)c1-c1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1.[Ru+2]
• InChI: InChI=1S/C24H23N3.C21H13F6N5.Ru/c1-4-7-18-10-12-25-21(14-18)23-16-20(9-6-3)17-24(27-23)22-15-19(8-5-2)11-13-26-22;1-10-4-3-5-11(2)19(10)12-6-13(15-8-17(31-29-15)20(22,23)24)28-14(7-12)16-9-18(32-30-16)21(25,26)27;/h4-17H,1-3H3;3-9H,1-2H3;/q;-2;+2/b7-4+,8-5+,9-6+
• InChIKey: GZCXXEIBVCJQNC-FFQYKFFFSA-N
• XLogP: 11.74
• TPSA: 105.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.90
LogP ≤ 5	11.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+)?

The IUPAC name of 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+) (CID 153445638) is 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+).

What is the SMILES notation for 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+)?

The canonical SMILES for 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+) is C/C=C/c1ccnc(-c2cc(/C=C/C)cc(-c3cc(/C=C/C)ccn3)n2)c1.Cc1cccc(C)c1-c1cc(-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 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+)?

The InChIKey is GZCXXEIBVCJQNC-FFQYKFFFSA-N. The full InChI is InChI=1S/C24H23N3.C21H13F6N5.Ru/c1-4-7-18-10-12-25-21(14-18)23-16-20(9-6-3)17-24(27-23)22-15-19(8-5-2)11-13-26-22;1-10-4-3-5-11(2)19(10)12-6-13(15-8-17(31-29-15)20(22,23)24)28-14(7-12)16-9-18(32-30-16)21(25,26)27;/h4-17H,1-3H3;3-9H,1-2H3;/q;-2;+2/b7-4+,8-5+,9-6+;;.

What are the key properties of 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+)?

4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+) has a molecular weight of 903.90 g/mol, XLogP of 11.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-prop-1-enyl]-2,6-bis[4-[(E)-prop-1-enyl]-2-pyridinyl]pyridine;ruthenium(2+) is sourced from PubChem (CID 153445638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).