9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C94H87N4OPt-3 — CID 176784117

About 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176784117) has the molecular formula C94H87N4OPt-3 and a molecular weight of 1483.83 g/mol. Its IUPAC name is 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176784117
• Molecular Formula: C94H87N4OPt-3
• Molecular Weight: 1483.83 g/mol
• Exact Mass: 1482.65
• IUPAC Name: 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-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[CH-]N(c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cc(C(C)(C)C)cc7-c7ccc8c(c7)-c7ccccc7C87c8ccccc8Cc8ccccc87)c7ccccc76)ccc5)ccc4c4ccccc43)cc2C(C)(C)C)cc1.[Pt]
• InChI: InChI=1S/C94H87N4O.Pt/c1-89(2,3)64-42-39-59(40-43-64)77-57-95-87(56-82(77)93(13,14)15)98-83-36-23-19-32-72(83)73-45-44-70(55-86(73)98)99-69-30-26-29-68(54-69)96-58-97(85-38-25-24-37-84(85)96)88-74(52-67(92(10,11)12)53-75(88)63-48-65(90(4,5)6)51-66(49-63)91(7,8)9)60-41-46-81-76(50-60)71-31-18-22-35-80(71)94(81)78-33-20-16-27-61(78)47-62-28-17-21-34-79(62)94;/h16-46,48-53,56-58H,47H2,1-15H3;/q-3
• InChIKey: DCVHXMAJVNJAOJ-UHFFFAOYSA-N
• XLogP: 24.73
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1483.83
LogP ≤ 5	24.73
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 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176784117) is 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-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-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-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[CH-]N(c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cc(C(C)(C)C)cc7-c7ccc8c(c7)-c7ccccc7C87c8ccccc8Cc8ccccc87)c7ccccc76)ccc5)ccc4c4ccccc43)cc2C(C)(C)C)cc1.[Pt].

What is the InChIKey of 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is DCVHXMAJVNJAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H87N4O.Pt/c1-89(2,3)64-42-39-59(40-43-64)77-57-95-87(56-82(77)93(13,14)15)98-83-36-23-19-32-72(83)73-45-44-70(55-86(73)98)99-69-30-26-29-68(54-69)96-58-97(85-38-25-24-37-84(85)96)88-74(52-67(92(10,11)12)53-75(88)63-48-65(90(4,5)6)51-66(49-63)91(7,8)9)60-41-46-81-76(50-60)71-31-18-22-35-80(71)94(81)78-33-20-16-27-61(78)47-62-28-17-21-34-79(62)94;/h16-46,48-53,56-58H,47H2,1-15H3;/q-3;.

What are the key properties of 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1483.83 g/mol, XLogP of 24.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176784117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).