2-[3-[5-tert-butyl-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

C55H53N4OPt-3 — CID 164727289

About 2-[3-[5-tert-butyl-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-tert-butyl-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 164727289) has the molecular formula C55H53N4OPt-3 and a molecular weight of 986.16 g/mol. Its IUPAC name is 2-[3-[5-tert-butyl-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-tert-butyl-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: 164727289
• Molecular Formula: C55H53N4OPt-3
• Molecular Weight: 986.16 g/mol
• Exact Mass: 985.42
• IUPAC Name: 2-[3-[5-tert-butyl-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(C(C)(C)C)ccc76)ccc5)ccc4c4ccccc43)cc2C)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C55H53N4O.Pt/c1-36-27-52(56-34-47(36)37-17-12-11-13-18-37)59-48-22-15-14-21-45(48)46-25-24-44(33-50(46)59)60-43-20-16-19-41(32-43)57-35-58(51-31-38(53(2,3)4)23-26-49(51)57)42-29-39(54(5,6)7)28-40(30-42)55(8,9)10;/h11-31,34-35H,1-10H3;/q-3;/i11D,12D,13D,17D,18D
• InChIKey: HYWSCBXEJRMKOL-FRFNGFDMSA-N
• XLogP: 14.85
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	986.16
LogP ≤ 5	14.85
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-tert-butyl-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-tert-butyl-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 164727289) is 2-[3-[5-tert-butyl-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-tert-butyl-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-tert-butyl-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(C(C)(C)C)ccc76)ccc5)ccc4c4ccccc43)cc2C)c([2H])c1[2H].[Pt].

What is the InChIKey of 2-[3-[5-tert-butyl-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 HYWSCBXEJRMKOL-FRFNGFDMSA-N. The full InChI is InChI=1S/C55H53N4O.Pt/c1-36-27-52(56-34-47(36)37-17-12-11-13-18-37)59-48-22-15-14-21-45(48)46-25-24-44(33-50(46)59)60-43-20-16-19-41(32-43)57-35-58(51-31-38(53(2,3)4)23-26-49(51)57)42-29-39(54(5,6)7)28-40(30-42)55(8,9)10;/h11-31,34-35H,1-10H3;/q-3;/i11D,12D,13D,17D,18D;.

What are the key properties of 2-[3-[5-tert-butyl-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-tert-butyl-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 986.16 g/mol, XLogP of 14.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-tert-butyl-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 164727289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).