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

C59H45N4OPt-3 — CID 164727113

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

2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 164727113) has the molecular formula C59H45N4OPt-3 and a molecular weight of 1026.14 g/mol. Its IUPAC name is 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 164727113
• Molecular Formula: C59H45N4OPt-3
• Molecular Weight: 1026.14 g/mol
• Exact Mass: 1025.36
• IUPAC Name: 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7cc(-c8ccccc8)cc(C(C)(C)C)c7)c7ccccc76)ccc5)ccc4c4cc(-c5ccccc5)ccc43)cc2C)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C59H45N4O.Pt/c1-40-31-58(60-38-53(40)43-21-12-7-13-22-43)63-54-30-27-44(41-17-8-5-9-18-41)34-52(54)51-29-28-50(37-57(51)63)64-49-24-16-23-47(36-49)61-39-62(56-26-15-14-25-55(56)61)48-33-45(42-19-10-6-11-20-42)32-46(35-48)59(2,3)4;/h5-35,38-39H,1-4H3;/q-3;/i7D,12D,13D,21D,22D
• InChIKey: AJNFKZOAAWEAKN-VMMUZLLFSA-N
• XLogP: 15.58
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1026.14
LogP ≤ 5	15.58
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-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum (CID 164727113) is 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7cc(-c8ccccc8)cc(C(C)(C)C)c7)c7ccccc76)ccc5)ccc4c4cc(-c5ccccc5)ccc43)cc2C)c([2H])c1[2H].[Pt].

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

The InChIKey is AJNFKZOAAWEAKN-VMMUZLLFSA-N. The full InChI is InChI=1S/C59H45N4O.Pt/c1-40-31-58(60-38-53(40)43-21-12-7-13-22-43)63-54-30-27-44(41-17-8-5-9-18-41)34-52(54)51-29-28-50(37-57(51)63)64-49-24-16-23-47(36-49)61-39-62(56-26-15-14-25-55(56)61)48-33-45(42-19-10-6-11-20-42)32-46(35-48)59(2,3)4;/h5-35,38-39H,1-4H3;/q-3;/i7D,12D,13D,21D,22D;.

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

2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1026.14 g/mol, XLogP of 15.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164727113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).