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

C68H61F2N4OPt-3 — CID 172530346

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

2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172530346) has the molecular formula C68H61F2N4OPt-3 and a molecular weight of 1183.34 g/mol. Its IUPAC name is 2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 172530346
• Molecular Formula: C68H61F2N4OPt-3
• Molecular Weight: 1183.34 g/mol
• Exact Mass: 1182.45
• IUPAC Name: 2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cc(-c2cccc(-c3cc(F)cc(F)c3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(-c4ccc(C(C)(C)C)cc4)c3)c3ccccc32)cc(C(C)C)c1.[Pt]
• InChI: InChI=1S/C68H61F2N4O.Pt/c1-42(2)45-30-46(43(3)4)32-48(31-45)57-17-15-18-58(49-33-52(69)38-53(70)34-49)66(57)73-41-72(62-20-13-14-21-63(62)73)54-35-47(44-22-24-50(25-23-44)67(5,6)7)36-56(39-54)75-55-26-27-60-59-16-11-12-19-61(59)74(64(60)40-55)65-37-51(28-29-71-65)68(8,9)10;/h11-38,41-43H,1-10H3;/q-3
• InChIKey: GVMRJZHHTVTCTM-UHFFFAOYSA-N
• XLogP: 19.10
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1183.34
LogP ≤ 5	19.10
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 2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172530346) is 2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)c1cc(-c2cccc(-c3cc(F)cc(F)c3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(-c4ccc(C(C)(C)C)cc4)c3)c3ccccc32)cc(C(C)C)c1.[Pt].

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

The InChIKey is GVMRJZHHTVTCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H61F2N4O.Pt/c1-42(2)45-30-46(43(3)4)32-48(31-45)57-17-15-18-58(49-33-52(69)38-53(70)34-49)66(57)73-41-72(62-20-13-14-21-63(62)73)54-35-47(44-22-24-50(25-23-44)67(5,6)7)36-56(39-54)75-55-26-27-60-59-16-11-12-19-61(59)74(64(60)40-55)65-37-51(28-29-71-65)68(8,9)10;/h11-38,41-43H,1-10H3;/q-3;.

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

2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1183.34 g/mol, XLogP of 19.10, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-tert-butylphenyl)-5-[3-[2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172530346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).