5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum

C55H44N5OPt-3 — CID 176782964

About 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum

5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum (PubChem CID 176782964) has the molecular formula C55H44N5OPt-3 and a molecular weight of 986.07 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum.

Molecular Properties

• Compound Name: 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum
• PubChem CID: 176782964
• Molecular Formula: C55H44N5OPt-3
• Molecular Weight: 986.07 g/mol
• Exact Mass: 985.32
• IUPAC Name: 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum
• SMILES: Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc6c(cc4n5-c4cc(C(C)(C)C)ccn4)c4ccccc4n6-c4ccccc4)ccc3)c3ccccc32)c(C)c1.[Pt]
• InChI: InChI=1S/C55H44N5O.Pt/c1-35-27-36(2)54(37(3)28-35)58-34-57(48-21-12-13-22-49(48)58)40-17-14-18-41(30-40)61-42-23-24-44-46-32-51-45(43-19-10-11-20-47(43)59(51)39-15-8-7-9-16-39)33-52(46)60(50(44)31-42)53-29-38(25-26-56-53)55(4,5)6;/h7-29,32-34H,1-6H3;/q-3
• InChIKey: YSACJBAMMSVYKL-UHFFFAOYSA-N
• XLogP: 14.30
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	986.07
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum?

The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum (CID 176782964) is 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum.

What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum?

The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum is Cc1cc(C)c(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc6c(cc4n5-c4cc(C(C)(C)C)ccn4)c4ccccc4n6-c4ccccc4)ccc3)c3ccccc32)c(C)c1.[Pt].

What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum?

The InChIKey is YSACJBAMMSVYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N5O.Pt/c1-35-27-36(2)54(37(3)28-35)58-34-57(48-21-12-13-22-49(48)58)40-17-14-18-41(30-40)61-42-23-24-44-46-32-51-45(43-19-10-11-20-47(43)59(51)39-15-8-7-9-16-39)33-52(46)60(50(44)31-42)53-29-38(25-26-56-53)55(4,5)6;/h7-29,32-34H,1-6H3;/q-3;.

What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum?

5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum has a molecular weight of 986.07 g/mol, XLogP of 14.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-b]carbazol-4-ide;platinum is sourced from PubChem (CID 176782964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).