4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)

C33H34F6N4Pt — CID 58661093

IUPAC4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)
SMILESCc1cc(C(F)(F)F)c[c-]c1-c1cc(C(C)(C)C)cc(C(C)(C)c2cc(C(C)(C)C)cc(-c3cc(C(F)(F)F)n[n-]3)n2)n1.[Pt+2]
InChIInChI=1S/C33H34F6N4.Pt/c1-18-12-19(32(34,35)36)10-11-22(18)23-13-20(29(2,3)4)15-26(40-23)31(8,9)27-16-21(30(5,6)7)14-24(41-27)25-17-28(43-42-25)33(37,38)39;/h10,12-17H,1-9H3;/q-2;+2
InChIKeyNFZULIGVMKAIKP-UHFFFAOYSA-N
MW795.73 g/mol
LogP9.23
Rot. Bonds4

About 4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)

4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) (PubChem CID 58661093) has the molecular formula C33H34F6N4Pt and a molecular weight of 795.73 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+).

Molecular Properties

Compound Name4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)
PubChem CID58661093
Molecular FormulaC33H34F6N4Pt
Molecular Weight795.73 g/mol
Exact Mass795.23
IUPAC Name4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)
SMILESCc1cc(C(F)(F)F)c[c-]c1-c1cc(C(C)(C)C)cc(C(C)(C)c2cc(C(C)(C)C)cc(-c3cc(C(F)(F)F)n[n-]3)n2)n1.[Pt+2]
InChIInChI=1S/C33H34F6N4.Pt/c1-18-12-19(32(34,35)36)10-11-22(18)23-13-20(29(2,3)4)15-26(40-23)31(8,9)27-16-21(30(5,6)7)14-24(41-27)25-17-28(43-42-25)33(37,38)39;/h10,12-17H,1-9H3;/q-2;+2
InChIKeyNFZULIGVMKAIKP-UHFFFAOYSA-N
XLogP9.23
TPSA52.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.73
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)?
The IUPAC name of 4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) (CID 58661093) is 4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+).
What is the SMILES notation for 4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)?
The canonical SMILES for 4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) is Cc1cc(C(F)(F)F)c[c-]c1-c1cc(C(C)(C)C)cc(C(C)(C)c2cc(C(C)(C)C)cc(-c3cc(C(F)(F)F)n[n-]3)n2)n1.[Pt+2].
What is the InChIKey of 4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)?
The InChIKey is NFZULIGVMKAIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F6N4.Pt/c1-18-12-19(32(34,35)36)10-11-22(18)23-13-20(29(2,3)4)15-26(40-23)31(8,9)27-16-21(30(5,6)7)14-24(41-27)25-17-28(43-42-25)33(37,38)39;/h10,12-17H,1-9H3;/q-2;+2.
What are the key properties of 4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+)?
4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) has a molecular weight of 795.73 g/mol, XLogP of 9.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2-[4-tert-butyl-6-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+) is sourced from PubChem (CID 58661093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).