2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum

C42H32F6N3OPt- — CID 166511953

About 2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum

2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum (PubChem CID 166511953) has the molecular formula C42H32F6N3OPt- and a molecular weight of 903.80 g/mol. Its IUPAC name is 2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum
• PubChem CID: 166511953
• Molecular Formula: C42H32F6N3OPt-
• Molecular Weight: 903.80 g/mol
• Exact Mass: 903.21
• IUPAC Name: 2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum
• SMILES: Cc1cc(C(C)(C)C)cc(C)c1-c1ccc2c(c1)c1ccc(-c3ccccc3O)[c-]c1n2-c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)ccn2)n1.[Pt]
• InChI: InChI=1S/C42H32F6N3O.Pt/c1-23-16-28(40(3,4)5)17-24(2)39(23)26-11-13-35-32(18-26)31-12-10-25(30-8-6-7-9-37(30)52)19-36(31)51(35)38-22-29(42(46,47)48)21-34(50-38)33-20-27(14-15-49-33)41(43,44)45;/h6-18,20-22,52H,1-5H3;/q-1
• InChIKey: KGXHYKKCUGJXDU-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.80
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum?

The IUPAC name of 2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum (CID 166511953) is 2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum.

What is the SMILES notation for 2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum?

The canonical SMILES for 2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum is Cc1cc(C(C)(C)C)cc(C)c1-c1ccc2c(c1)c1ccc(-c3ccccc3O)[c-]c1n2-c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)ccn2)n1.[Pt].

What is the InChIKey of 2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum?

The InChIKey is KGXHYKKCUGJXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32F6N3O.Pt/c1-23-16-28(40(3,4)5)17-24(2)39(23)26-11-13-35-32(18-26)31-12-10-25(30-8-6-7-9-37(30)52)19-36(31)51(35)38-22-29(42(46,47)48)21-34(50-38)33-20-27(14-15-49-33)41(43,44)45;/h6-18,20-22,52H,1-5H3;/q-1;.

What are the key properties of 2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum?

2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum has a molecular weight of 903.80 g/mol, XLogP of 12.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-tert-butyl-2,6-dimethylphenyl)-9-[4-(trifluoromethyl)-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]phenol;platinum is sourced from PubChem (CID 166511953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).