6-tert-butyl-2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C77H70N4OPt+2 — CID 177133389

About 6-tert-butyl-2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

6-tert-butyl-2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 177133389) has the molecular formula C77H70N4OPt+2 and a molecular weight of 1265.53 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 177133389
• Molecular Formula: C77H70N4OPt+2
• Molecular Weight: 1265.53 g/mol
• Exact Mass: 1264.54
• IUPAC Name: 6-tert-butyl-2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c([N+]5=C=[N+](c6c(-c7ccccc7)cccc6-c6cc(-c7ccccc7)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3cc(C(C)(C)C)ccc32)ncc1-c1cccc2c1C(C)(C)CCC2(C)C.[Pt+2]
• InChI: InChI=1S/C77H70N4O.Pt/c1-50-41-71(78-48-65(50)63-31-22-32-66-72(63)77(10,11)40-39-76(66,8)9)81-67-38-35-55(74(2,3)4)45-64(67)62-37-36-59(47-70(62)81)82-58-28-20-27-57(46-58)79-49-80(69-34-19-18-33-68(69)79)73-60(52-25-16-13-17-26-52)29-21-30-61(73)54-42-53(51-23-14-12-15-24-51)43-56(44-54)75(5,6)7;/h12-38,41-45,48H,39-40H2,1-11H3;/q;+2/i1D3
• InChIKey: RQGIPKWWBXSVIU-NIIDSAIPSA-N
• XLogP: 20.35
• TPSA: 33.07 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1265.53
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 6-tert-butyl-2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 177133389) is 6-tert-butyl-2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 6-tert-butyl-2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 6-tert-butyl-2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c([N+]5=C=[N+](c6c(-c7ccccc7)cccc6-c6cc(-c7ccccc7)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3cc(C(C)(C)C)ccc32)ncc1-c1cccc2c1C(C)(C)CCC2(C)C.[Pt+2].

What is the InChIKey of 6-tert-butyl-2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is RQGIPKWWBXSVIU-NIIDSAIPSA-N. The full InChI is InChI=1S/C77H70N4O.Pt/c1-50-41-71(78-48-65(50)63-31-22-32-66-72(63)77(10,11)40-39-76(66,8)9)81-67-38-35-55(74(2,3)4)45-64(67)62-37-36-59(47-70(62)81)82-58-28-20-27-57(46-58)79-49-80(69-34-19-18-33-68(69)79)73-60(52-25-16-13-17-26-52)29-21-30-61(73)54-42-53(51-23-14-12-15-24-51)43-56(44-54)75(5,6)7;/h12-38,41-45,48H,39-40H2,1-11H3;/q;+2/i1D3;.

What are the key properties of 6-tert-butyl-2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

6-tert-butyl-2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1265.53 g/mol, XLogP of 20.35, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-phenylphenyl]benzimidazole-1,3-diium-1-yl]benzene-2-id-1-yl]oxy-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 177133389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).