platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline

C49H38N4OPt-2 — CID 171731665

About platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline

platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline (PubChem CID 171731665) has the molecular formula C49H38N4OPt-2 and a molecular weight of 896.97 g/mol. Its IUPAC name is platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline.

Molecular Properties

• Compound Name: platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline
• PubChem CID: 171731665
• Molecular Formula: C49H38N4OPt-2
• Molecular Weight: 896.97 g/mol
• Exact Mass: 896.29
• IUPAC Name: platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline
• SMILES: [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(-c5ccccc5)ccc3n4-c3cc4c(cn3)C(C)(C)c3ccccc3C4(C)C)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C49H38N4O.Pt/c1-48(2)39-18-9-10-19-40(39)49(3,4)42-30-50-47(29-41(42)48)53-43-25-22-33(32-14-7-6-8-15-32)26-38(43)37-24-23-36(28-46(37)53)54-35-17-13-16-34(27-35)52-31-51(5)44-20-11-12-21-45(44)52;/h6-26,29-30H,1-5H3;/q-2;/i5D3
• InChIKey: HGRLCOHWDYRDRT-OWKBQAHQSA-N
• XLogP: 10.77
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.97
LogP ≤ 5	10.77
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 platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline?

The IUPAC name of platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline (CID 171731665) is platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline.

What is the SMILES notation for platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline?

The canonical SMILES for platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline is [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(-c5ccccc5)ccc3n4-c3cc4c(cn3)C(C)(C)c3ccccc3C4(C)C)ccc2)c2ccccc21.[Pt].

What is the InChIKey of platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline?

The InChIKey is HGRLCOHWDYRDRT-OWKBQAHQSA-N. The full InChI is InChI=1S/C49H38N4O.Pt/c1-48(2)39-18-9-10-19-40(39)49(3,4)42-30-50-47(29-41(42)48)53-43-25-22-33(32-14-7-6-8-15-32)26-38(43)37-24-23-36(28-46(37)53)54-35-17-13-16-34(27-35)52-31-51(5)44-20-11-12-21-45(44)52;/h6-26,29-30H,1-5H3;/q-2;/i5D3;.

What are the key properties of platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline?

platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline has a molecular weight of 896.97 g/mol, XLogP of 10.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;5,5,10,10-tetramethyl-3-[6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]benzo[g]isoquinoline is sourced from PubChem (CID 171731665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).