3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum

C53H38N4OPt-2 — CID 171416074

About 3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum

3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum (PubChem CID 171416074) has the molecular formula C53H38N4OPt-2 and a molecular weight of 944.00 g/mol. Its IUPAC name is 3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum.

Molecular Properties

• Compound Name: 3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum
• PubChem CID: 171416074
• Molecular Formula: C53H38N4OPt-2
• Molecular Weight: 944.00 g/mol
• Exact Mass: 943.28
• IUPAC Name: 3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum
• SMILES: [2H]C([2H])(c1[c-]c(-n2[c-][n+](-c3cccc(C(C)(C)C)c3)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc2c(cn1)oc1c(-c3ccccc3)cccc12.[Pt]
• InChI: InChI=1S/C53H38N4O.Pt/c1-53(2,3)38-17-12-19-40(31-38)56-34-55(47-24-9-10-25-48(47)56)39-18-11-14-35(29-39)28-36-26-27-43-42-20-7-8-23-46(42)57(49(43)30-36)51-32-45-44-22-13-21-41(37-15-5-4-6-16-37)52(44)58-50(45)33-54-51;/h4-27,31-33H,28H2,1-3H3;/q-2;/i28D2
• InChIKey: DWJSAYHSOBCSQJ-CLSLPLSSSA-N
• XLogP: 12.25
• TPSA: 39.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.00
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum?

The IUPAC name of 3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum (CID 171416074) is 3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum.

What is the SMILES notation for 3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum?

The canonical SMILES for 3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum is [2H]C([2H])(c1[c-]c(-n2[c-][n+](-c3cccc(C(C)(C)C)c3)c3ccccc32)ccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1cc2c(cn1)oc1c(-c3ccccc3)cccc12.[Pt].

What is the InChIKey of 3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum?

The InChIKey is DWJSAYHSOBCSQJ-CLSLPLSSSA-N. The full InChI is InChI=1S/C53H38N4O.Pt/c1-53(2,3)38-17-12-19-40(31-38)56-34-55(47-24-9-10-25-48(47)56)39-18-11-14-35(29-39)28-36-26-27-43-42-20-7-8-23-46(42)57(49(43)30-36)51-32-45-44-22-13-21-41(37-15-5-4-6-16-37)52(44)58-50(45)33-54-51;/h4-27,31-33H,28H2,1-3H3;/q-2;/i28D2;.

What are the key properties of 3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum?

3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum has a molecular weight of 944.00 g/mol, XLogP of 12.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum is sourced from PubChem (CID 171416074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).