9-(4-tert-butyl-2-pyridinyl)-2-[3-(2-deuteriopropan-2-yl)-5-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C55H44FN4OPt-3 — CID 172530911

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2-deuteriopropan-2-yl)-5-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-(2-deuteriopropan-2-yl)-5-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 172530911) has the molecular formula C55H44FN4OPt-3 and a molecular weight of 992.07 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2-deuteriopropan-2-yl)-5-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2-deuteriopropan-2-yl)-5-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 172530911
• Molecular Formula: C55H44FN4OPt-3
• Molecular Weight: 992.07 g/mol
• Exact Mass: 991.32
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2-deuteriopropan-2-yl)-5-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]C(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccc(F)cc3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C55H44FN4O.Pt/c1-36(2)39-30-42(33-44(31-39)61-43-26-27-48-47-16-9-10-19-49(47)60(52(48)34-43)53-32-40(28-29-57-53)55(3,4)5)58-35-59(51-21-12-11-20-50(51)58)54-45(37-14-7-6-8-15-37)17-13-18-46(54)38-22-24-41(56)25-23-38;/h6-32,35-36H,1-5H3;/q-3;/i36D
• InChIKey: JHIRJYUNPBQWQA-YQQWSWCQSA-N
• XLogP: 14.87
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.07
LogP ≤ 5	14.87
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-(2-deuteriopropan-2-yl)-5-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2-deuteriopropan-2-yl)-5-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 172530911) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2-deuteriopropan-2-yl)-5-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2-deuteriopropan-2-yl)-5-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2-deuteriopropan-2-yl)-5-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]C(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccc(F)cc3)c3ccccc32)c1.[Pt].

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

The InChIKey is JHIRJYUNPBQWQA-YQQWSWCQSA-N. The full InChI is InChI=1S/C55H44FN4O.Pt/c1-36(2)39-30-42(33-44(31-39)61-43-26-27-48-47-16-9-10-19-49(47)60(52(48)34-43)53-32-40(28-29-57-53)55(3,4)5)58-35-59(51-21-12-11-20-50(51)58)54-45(37-14-7-6-8-15-37)17-13-18-46(54)38-22-24-41(56)25-23-38;/h6-32,35-36H,1-5H3;/q-3;/i36D;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(2-deuteriopropan-2-yl)-5-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 992.07 g/mol, XLogP of 14.87, 8 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-(2-deuteriopropan-2-yl)-5-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172530911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).