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

C58H50N4OPt-2 — CID 171609096

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

6-tert-butyl-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-4-methyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 171609096) has the molecular formula C58H50N4OPt-2 and a molecular weight of 1014.14 g/mol. Its IUPAC name is 6-tert-butyl-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-4-methyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-tert-butyl-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-4-methyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 171609096
• Molecular Formula: C58H50N4OPt-2
• Molecular Weight: 1014.14 g/mol
• Exact Mass: 1013.36
• IUPAC Name: 6-tert-butyl-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-4-methyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: Cc1cccc2c1[n+](-c1c(-c3ccccc3)cccc1-c1ccccc1)[c-]n2-c1[c-]c(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(CC(C)(C)C)ccn2)ccc1.[Pt]
• InChI: InChI=1S/C58H50N4O.Pt/c1-39-17-14-26-52-55(39)61(56-47(41-18-10-8-11-19-41)24-16-25-48(56)42-20-12-9-13-21-42)38-60(52)44-22-15-23-45(35-44)63-46-28-29-49-50-34-43(58(5,6)7)27-30-51(50)62(53(49)36-46)54-33-40(31-32-59-54)37-57(2,3)4;/h8-34H,37H2,1-7H3;/q-2
• InChIKey: QRWHXANXZGXTLI-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1014.14
LogP ≤ 5	14.12
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-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-4-methyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-tert-butyl-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-4-methyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 171609096) is 6-tert-butyl-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-4-methyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 6-tert-butyl-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-4-methyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is Cc1cccc2c1[n+](-c1c(-c3ccccc3)cccc1-c1ccccc1)[c-]n2-c1[c-]c(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(CC(C)(C)C)ccn2)ccc1.[Pt].

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

The InChIKey is QRWHXANXZGXTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50N4O.Pt/c1-39-17-14-26-52-55(39)61(56-47(41-18-10-8-11-19-41)24-16-25-48(56)42-20-12-9-13-21-42)38-60(52)44-22-15-23-45(35-44)63-46-28-29-49-50-34-43(58(5,6)7)27-30-51(50)62(53(49)36-46)54-33-40(31-32-59-54)37-57(2,3)4;/h8-34H,37H2,1-7H3;/q-2;.

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

6-tert-butyl-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-4-methyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1014.14 g/mol, XLogP of 14.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-4-methyl-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171609096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).