6-tert-butyl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C62H50N4OPt-2 — CID 171609164

About 6-tert-butyl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

6-tert-butyl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 171609164) has the molecular formula C62H50N4OPt-2 and a molecular weight of 1062.19 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 171609164
• Molecular Formula: C62H50N4OPt-2
• Molecular Weight: 1062.19 g/mol
• Exact Mass: 1061.36
• IUPAC Name: 6-tert-butyl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4[c-][n+](-c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccccc54)ccc3)[c-]c1n2-c1cc(CC(C)(C)c2ccccc2)ccn1.[Pt]
• InChI: InChI=1S/C62H50N4O.Pt/c1-61(2,3)47-31-34-55-54(38-47)53-33-32-50(40-58(53)66(55)59-37-43(35-36-63-59)41-62(4,5)46-23-13-8-14-24-46)67-49-26-17-25-48(39-49)64-42-65(57-30-16-15-29-56(57)64)60-51(44-19-9-6-10-20-44)27-18-28-52(60)45-21-11-7-12-22-45;/h6-38H,41H2,1-5H3;/q-2
• InChIKey: XYZFJHVKKDKVFT-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1062.19
LogP ≤ 5	14.74
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 6-tert-butyl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-tert-butyl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 171609164) is 6-tert-butyl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 6-tert-butyl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4[c-][n+](-c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccccc54)ccc3)[c-]c1n2-c1cc(CC(C)(C)c2ccccc2)ccn1.[Pt].

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

The InChIKey is XYZFJHVKKDKVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N4O.Pt/c1-61(2,3)47-31-34-55-54(38-47)53-33-32-50(40-58(53)66(55)59-37-43(35-36-63-59)41-62(4,5)46-23-13-8-14-24-46)67-49-26-17-25-48(39-49)64-42-65(57-30-16-15-29-56(57)64)60-51(44-19-9-6-10-20-44)27-18-28-52(60)45-21-11-7-12-22-45;/h6-38H,41H2,1-5H3;/q-2;.

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

6-tert-butyl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1062.19 g/mol, XLogP of 14.74, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171609164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).