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

C59H61N4OPt-3 — CID 168783922

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

6-tert-butyl-2-[3-[3-[[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 168783922) has the molecular formula C59H61N4OPt-3 and a molecular weight of 1037.24 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[3-[[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-[3-[[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 168783922
• Molecular Formula: C59H61N4OPt-3
• Molecular Weight: 1037.24 g/mol
• Exact Mass: 1036.45
• IUPAC Name: 6-tert-butyl-2-[3-[3-[[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccc(-c2cc(CN3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5cc(C(C)(C)C)ccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)cc(C(C)(C)C)c2)cc1.[Pt]
• InChI: InChI=1S/C59H61N4O.Pt/c1-56(2,3)42-22-20-40(21-23-42)41-30-39(31-45(32-41)59(10,11)12)37-61-38-62(53-19-14-13-18-52(53)61)46-16-15-17-47(35-46)64-48-25-26-49-50-33-43(57(4,5)6)24-27-51(50)63(54(49)36-48)55-34-44(28-29-60-55)58(7,8)9;/h13-34,38H,37H2,1-12H3;/q-3
• InChIKey: FYZWPDRDHXCNGX-UHFFFAOYSA-N
• XLogP: 15.70
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.24
LogP ≤ 5	15.70
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 6-tert-butyl-2-[3-[3-[[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-tert-butyl-2-[3-[3-[[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 168783922) is 6-tert-butyl-2-[3-[3-[[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 6-tert-butyl-2-[3-[3-[[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccc(-c2cc(CN3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5cc(C(C)(C)C)ccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)cc(C(C)(C)C)c2)cc1.[Pt].

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

The InChIKey is FYZWPDRDHXCNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H61N4O.Pt/c1-56(2,3)42-22-20-40(21-23-42)41-30-39(31-45(32-41)59(10,11)12)37-61-38-62(53-19-14-13-18-52(53)61)46-16-15-17-47(35-46)64-48-25-26-49-50-33-43(57(4,5)6)24-27-51(50)63(54(49)36-48)55-34-44(28-29-60-55)58(7,8)9;/h13-34,38H,37H2,1-12H3;/q-3;.

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

6-tert-butyl-2-[3-[3-[[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1037.24 g/mol, XLogP of 15.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[3-[3-[[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168783922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).