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

C58H48F3N4OPt-3 — CID 172534251

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-fluorophenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 172534251) has the molecular formula C58H48F3N4OPt-3 and a molecular weight of 1069.12 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-fluorophenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-fluorophenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 172534251
• Molecular Formula: C58H48F3N4OPt-3
• Molecular Weight: 1069.12 g/mol
• Exact Mass: 1068.34
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-fluorophenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cc(-c2c(F)cccc2F)cc(C(C)C)c1N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(-c3ccc(F)cc3)c2)c2ccccc21.[Pt]
• InChI: InChI=1S/C58H48F3N4O.Pt/c1-35(2)47-29-39(56-49(60)14-12-15-50(56)61)30-48(36(3)4)57(47)64-34-63(52-17-10-11-18-53(52)64)42-27-38(37-19-21-41(59)22-20-37)28-44(32-42)66-43-23-24-46-45-13-8-9-16-51(45)65(54(46)33-43)55-31-40(25-26-62-55)58(5,6)7;/h8-31,34-36H,1-7H3;/q-3
• InChIKey: FFLYGQHPAVMRRS-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1069.12
LogP ≤ 5	16.27
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-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-fluorophenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-fluorophenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 172534251) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-fluorophenyl)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-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-fluorophenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-fluorophenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)c1cc(-c2c(F)cccc2F)cc(C(C)C)c1N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(-c3ccc(F)cc3)c2)c2ccccc21.[Pt].

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

The InChIKey is FFLYGQHPAVMRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48F3N4O.Pt/c1-35(2)47-29-39(56-49(60)14-12-15-50(56)61)30-48(36(3)4)57(47)64-34-63(52-17-10-11-18-53(52)64)42-27-38(37-19-21-41(59)22-20-37)28-44(32-42)66-43-23-24-46-45-13-8-9-16-51(45)65(54(46)33-43)55-31-40(25-26-62-55)58(5,6)7;/h8-31,34-36H,1-7H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-fluorophenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1069.12 g/mol, XLogP of 16.27, 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-[4-(2,6-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-fluorophenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172534251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).