9-[5-(4-tert-butylphenyl)-4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C76H70N4OPt-2 — CID 171609072

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

9-[5-(4-tert-butylphenyl)-4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 171609072) has the molecular formula C76H70N4OPt-2 and a molecular weight of 1250.50 g/mol. Its IUPAC name is 9-[5-(4-tert-butylphenyl)-4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[5-(4-tert-butylphenyl)-4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 171609072
• Molecular Formula: C76H70N4OPt-2
• Molecular Weight: 1250.50 g/mol
• Exact Mass: 1249.52
• IUPAC Name: 9-[5-(4-tert-butylphenyl)-4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccc(-c2cnc(-n3c4[c-]c(Oc5[c-]c(-n6[c-][n+](-c7c(-c8ccccc8)cccc7-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccccc76)ccc5)ccc4c4ccccc43)cc2CC(C)(C)c2ccccc2)cc1.[Pt]
• InChI: InChI=1S/C76H70N4O.Pt/c1-73(2,3)55-38-36-52(37-39-55)66-49-77-71(44-54(66)48-76(10,11)56-26-16-13-17-27-56)80-67-33-19-18-30-64(67)65-41-40-61(47-70(65)80)81-60-29-22-28-59(46-60)78-50-79(69-35-21-20-34-68(69)78)72-62(51-24-14-12-15-25-51)31-23-32-63(72)53-42-57(74(4,5)6)45-58(43-53)75(7,8)9;/h12-45,49H,48H2,1-11H3;/q-2
• InChIKey: BRMWFHQDZQCXSS-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1250.50
LogP ≤ 5	19.00
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 9-[5-(4-tert-butylphenyl)-4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[5-(4-tert-butylphenyl)-4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 171609072) is 9-[5-(4-tert-butylphenyl)-4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-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 9-[5-(4-tert-butylphenyl)-4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-[5-(4-tert-butylphenyl)-4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccc(-c2cnc(-n3c4[c-]c(Oc5[c-]c(-n6[c-][n+](-c7c(-c8ccccc8)cccc7-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccccc76)ccc5)ccc4c4ccccc43)cc2CC(C)(C)c2ccccc2)cc1.[Pt].

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

The InChIKey is BRMWFHQDZQCXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H70N4O.Pt/c1-73(2,3)55-38-36-52(37-39-55)66-49-77-71(44-54(66)48-76(10,11)56-26-16-13-17-27-56)80-67-33-19-18-30-64(67)65-41-40-61(47-70(65)80)81-60-29-22-28-59(46-60)78-50-79(69-35-21-20-34-68(69)78)72-62(51-24-14-12-15-25-51)31-23-32-63(72)53-42-57(74(4,5)6)45-58(43-53)75(7,8)9;/h12-45,49H,48H2,1-11H3;/q-2;.

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

9-[5-(4-tert-butylphenyl)-4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1250.50 g/mol, XLogP of 19.00, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-(4-tert-butylphenyl)-4-(2-methyl-2-phenylpropyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171609072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).