9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-ditert-butyl-2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C74H78N4OPt-2 — CID 170518724

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-ditert-butyl-2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-ditert-butyl-2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 170518724) has the molecular formula C74H78N4OPt-2 and a molecular weight of 1234.54 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-ditert-butyl-2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-ditert-butyl-2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 170518724
• Molecular Formula: C74H78N4OPt-2
• Molecular Weight: 1234.54 g/mol
• Exact Mass: 1233.58
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-ditert-butyl-2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccc8c(c7)C(C)(C)CC8(C)C)c(C(C)(C)C)cc(C(C)(C)C)c6-c6ccc7c(c6)C(C)(C)CC7(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C74H78N4O.Pt/c1-68(2,3)48-35-36-75-64(39-48)78-60-26-19-18-25-52(60)53-32-31-51(41-63(53)78)79-50-24-22-23-49(40-50)76-45-77(62-28-21-20-27-61(62)76)67-65(46-29-33-54-56(37-46)73(14,15)43-71(54,10)11)58(69(4,5)6)42-59(70(7,8)9)66(67)47-30-34-55-57(38-47)74(16,17)44-72(55,12)13;/h18-39,42H,43-44H2,1-17H3;/q-2
• InChIKey: XWHDLGYODRCAMZ-UHFFFAOYSA-N
• XLogP: 18.73
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1234.54
LogP ≤ 5	18.73
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-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-ditert-butyl-2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-ditert-butyl-2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 170518724) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-ditert-butyl-2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-ditert-butyl-2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-ditert-butyl-2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccc8c(c7)C(C)(C)CC8(C)C)c(C(C)(C)C)cc(C(C)(C)C)c6-c6ccc7c(c6)C(C)(C)CC7(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is XWHDLGYODRCAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H78N4O.Pt/c1-68(2,3)48-35-36-75-64(39-48)78-60-26-19-18-25-52(60)53-32-31-51(41-63(53)78)79-50-24-22-23-49(40-50)76-45-77(62-28-21-20-27-61(62)76)67-65(46-29-33-54-56(37-46)73(14,15)43-71(54,10)11)58(69(4,5)6)42-59(70(7,8)9)66(67)47-30-34-55-57(38-47)74(16,17)44-72(55,12)13;/h18-39,42H,43-44H2,1-17H3;/q-2;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-ditert-butyl-2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1234.54 g/mol, XLogP of 18.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-ditert-butyl-2,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 170518724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).