9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum

C44H39N5OPt-2 — CID 171765807

About 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 171765807) has the molecular formula C44H39N5OPt-2 and a molecular weight of 850.92 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
• PubChem CID: 171765807
• Molecular Formula: C44H39N5OPt-2
• Molecular Weight: 850.92 g/mol
• Exact Mass: 850.29
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])(c1cccc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccn3)c3ccccc32)c1)C(C)(C)C.[Pt]
• InChI: InChI=1S/C44H39N5O.Pt/c1-43(2,3)28-30-12-11-13-32(24-30)47-29-48(39-17-10-9-16-38(39)47)41-27-34(21-23-45-41)50-33-18-19-36-35-14-7-8-15-37(35)49(40(36)26-33)42-25-31(20-22-46-42)44(4,5)6;/h7-25H,28H2,1-6H3;/q-2;/i28D2
• InChIKey: FYKUREPIOFGTRV-CLSLPLSSSA-N
• XLogP: 9.87
• TPSA: 48.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.92
LogP ≤ 5	9.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum (CID 171765807) is 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum is [2H]C([2H])(c1cccc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccn3)c3ccccc32)c1)C(C)(C)C.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?

The InChIKey is FYKUREPIOFGTRV-CLSLPLSSSA-N. The full InChI is InChI=1S/C44H39N5O.Pt/c1-43(2,3)28-30-12-11-13-32(24-30)47-29-48(39-17-10-9-16-38(39)47)41-27-34(21-23-45-41)50-33-18-19-36-35-14-7-8-15-37(35)49(40(36)26-33)42-25-31(20-22-46-42)44(4,5)6;/h7-25H,28H2,1-6H3;/q-2;/i28D2;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 850.92 g/mol, XLogP of 9.87, 6 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-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171765807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).