9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C59H50F3N4OPt-3 — CID 172534261

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 172534261) has the molecular formula C59H50F3N4OPt-3 and a molecular weight of 1083.15 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 172534261
• Molecular Formula: C59H50F3N4OPt-3
• Molecular Weight: 1083.15 g/mol
• Exact Mass: 1082.36
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: Cc1ccccc1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(C(C)C)cc(-c4c(F)cc(F)cc4F)cc3C(C)C)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C59H50F3N4O.Pt/c1-35(2)48-27-39(57-50(61)30-41(60)31-51(57)62)28-49(36(3)4)58(48)65-34-64(53-19-13-14-20-54(53)65)42-25-38(45-16-10-9-15-37(45)5)26-44(32-42)67-43-21-22-47-46-17-11-12-18-52(46)66(55(47)33-43)56-29-40(23-24-63-56)59(6,7)8;/h9-31,34-36H,1-8H3;/q-3
• InChIKey: IGFIKBITDLVFFD-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1083.15
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 172534261) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is Cc1ccccc1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(C(C)C)cc(-c4c(F)cc(F)cc4F)cc3C(C)C)c3ccccc32)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is IGFIKBITDLVFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H50F3N4O.Pt/c1-35(2)48-27-39(57-50(61)30-41(60)31-51(57)62)28-49(36(3)4)58(48)65-34-64(53-19-13-14-20-54(53)65)42-25-38(45-16-10-9-15-37(45)5)26-44(32-42)67-43-21-22-47-46-17-11-12-18-52(46)66(55(47)33-43)56-29-40(23-24-63-56)59(6,7)8;/h9-31,34-36H,1-8H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1083.15 g/mol, XLogP of 16.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(propan-2-yl)-4-(2,4,6-trifluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-methylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172534261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).