2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C61H57N4OPt-3 — CID 164727060

About 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 164727060) has the molecular formula C61H57N4OPt-3 and a molecular weight of 1062.26 g/mol. Its IUPAC name is 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 164727060
• Molecular Formula: C61H57N4OPt-3
• Molecular Weight: 1062.26 g/mol
• Exact Mass: 1061.45
• IUPAC Name: 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7cc(-c8cccc(C(C)(C)C)c8)ccc76)ccc5)ccc4c4ccccc43)cc2C)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C61H57N4O.Pt/c1-40-30-58(62-38-53(40)41-18-12-11-13-19-41)65-54-25-15-14-24-51(54)52-28-27-50(37-56(52)65)66-49-23-17-22-47(36-49)63-39-64(48-34-45(60(5,6)7)33-46(35-48)61(8,9)10)57-32-43(26-29-55(57)63)42-20-16-21-44(31-42)59(2,3)4;/h11-35,38-39H,1-10H3;/q-3;/i11D,12D,13D,18D,19D
• InChIKey: FMHYCEJOPNCIGU-SKPVEGMGSA-N
• XLogP: 16.51
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1062.26
LogP ≤ 5	16.51
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 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 164727060) is 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7cc(-c8cccc(C(C)(C)C)c8)ccc76)ccc5)ccc4c4ccccc43)cc2C)c([2H])c1[2H].[Pt].

What is the InChIKey of 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is FMHYCEJOPNCIGU-SKPVEGMGSA-N. The full InChI is InChI=1S/C61H57N4O.Pt/c1-40-30-58(62-38-53(40)41-18-12-11-13-19-41)65-54-25-15-14-24-51(54)52-28-27-50(37-56(52)65)66-49-23-17-22-47(36-49)63-39-64(48-34-45(60(5,6)7)33-46(35-48)61(8,9)10)57-32-43(26-29-55(57)63)42-20-16-21-44(31-42)59(2,3)4;/h11-35,38-39H,1-10H3;/q-3;/i11D,12D,13D,18D,19D;.

What are the key properties of 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1062.26 g/mol, XLogP of 16.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164727060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).