9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)

C59H47F3N4O2Pt — CID 169301761

About 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 169301761) has the molecular formula C59H47F3N4O2Pt and a molecular weight of 1096.12 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 169301761
• Molecular Formula: C59H47F3N4O2Pt
• Molecular Weight: 1096.12 g/mol
• Exact Mass: 1095.33
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc3c2oc2cc(-c4ccccc4C(F)(F)F)ccc23)nc2ccccc21.[Pt+2]
• InChI: InChI=1S/C59H47F3N4O2.Pt/c1-34(2)40-17-14-18-41(35(3)4)55(40)66-51-22-13-11-20-49(51)64-57(66)47-32-39(31-46-45-25-23-36(29-53(45)68-56(46)47)42-15-8-10-19-48(42)59(60,61)62)67-38-24-26-44-43-16-9-12-21-50(43)65(52(44)33-38)54-30-37(27-28-63-54)58(5,6)7;/h8-31,34-35H,1-7H3;/q-2;+2
• InChIKey: WAKNGFPBPMBNRY-UHFFFAOYSA-N
• XLogP: 16.70
• TPSA: 58.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1096.12
LogP ≤ 5	16.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) (CID 169301761) is 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) is CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc3c2oc2cc(-c4ccccc4C(F)(F)F)ccc23)nc2ccccc21.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is WAKNGFPBPMBNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47F3N4O2.Pt/c1-34(2)40-17-14-18-41(35(3)4)55(40)66-51-22-13-11-20-49(51)64-57(66)47-32-39(31-46-45-25-23-36(29-53(45)68-56(46)47)42-15-8-10-19-48(42)59(60,61)62)67-38-24-26-44-43-16-9-12-21-50(43)65(52(44)33-38)54-30-37(27-28-63-54)58(5,6)7;/h8-31,34-35H,1-7H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1096.12 g/mol, XLogP of 16.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 169301761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).