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

C78H72F6N10O4Ru — CID 140780415

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

N,N-bis(4-tert-butylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+) (PubChem CID 140780415) has the molecular formula C78H72F6N10O4Ru and a molecular weight of 1428.56 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+).

Molecular Properties

• Compound Name: N,N-bis(4-tert-butylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+)
• PubChem CID: 140780415
• Molecular Formula: C78H72F6N10O4Ru
• Molecular Weight: 1428.56 g/mol
• Exact Mass: 1428.47
• IUPAC Name: N,N-bis(4-tert-butylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+)
• SMILES: CC(C)(C)c1ccc(N(c2ccc(/C=C/c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)cc1.[Ru+2]
• InChI: InChI=1S/C45H42N4O4.C33H30F6N6.Ru/c1-44(2,3)33-11-17-36(18-12-33)49(37-19-13-34(14-20-37)45(4,5)6)35-15-9-31(10-16-35)7-8-32-21-23-46-40(25-32)42-27-39(53-30-51)28-43(48-42)41-26-38(52-29-50)22-24-47-41;1-30(2,3)19-7-11-21(12-8-19)45(22-13-9-20(10-14-22)31(4,5)6)23-15-24(26-17-28(43-41-26)32(34,35)36)40-25(16-23)27-18-29(44-42-27)33(37,38)39;/h7-30H,1-6H3;7-18H,1-6H3;/q;-2;+2/b8-7+
• InChIKey: GMVPKEIYSPIBLM-MIIBGCIDSA-N
• XLogP: 19.73
• TPSA: 164.62 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1428.56
LogP ≤ 5	19.73
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 N,N-bis(4-tert-butylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+)?

The IUPAC name of N,N-bis(4-tert-butylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+) (CID 140780415) is N,N-bis(4-tert-butylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+).

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

The canonical SMILES for N,N-bis(4-tert-butylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+) is CC(C)(C)c1ccc(N(c2ccc(/C=C/c3ccnc(-c4cc(OC=O)cc(-c5cc(OC=O)ccn5)n4)c3)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)cc1.[Ru+2].

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

The InChIKey is GMVPKEIYSPIBLM-MIIBGCIDSA-N. The full InChI is InChI=1S/C45H42N4O4.C33H30F6N6.Ru/c1-44(2,3)33-11-17-36(18-12-33)49(37-19-13-34(14-20-37)45(4,5)6)35-15-9-31(10-16-35)7-8-32-21-23-46-40(25-32)42-27-39(53-30-51)28-43(48-42)41-26-38(52-29-50)22-24-47-41;1-30(2,3)19-7-11-21(12-8-19)45(22-13-9-20(10-14-22)31(4,5)6)23-15-24(26-17-28(43-41-26)32(34,35)36)40-25(16-23)27-18-29(44-42-27)33(37,38)39;/h7-30H,1-6H3;7-18H,1-6H3;/q;-2;+2/b8-7+;;.

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

N,N-bis(4-tert-butylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+) has a molecular weight of 1428.56 g/mol, XLogP of 19.73, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-tert-butylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+) is sourced from PubChem (CID 140780415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).