2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C75H57N4OPt-3 — CID 176784275

About 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 176784275) has the molecular formula C75H57N4OPt-3 and a molecular weight of 1240.48 g/mol. Its IUPAC name is 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 176784275
• Molecular Formula: C75H57N4OPt-3
• Molecular Weight: 1240.48 g/mol
• Exact Mass: 1239.51
• IUPAC Name: 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3[c-]c(N4[CH-]N(c5c(-c6cc(C([2H])([2H])[2H])cc(C([2H])([2H])[2H])c6)cc(C(C)(C)C)cc5-c5cccc6c5-c5ccccc5C65c6ccccc6C([2H])([2H])c6ccccc65)c5ccccc54)ccc3)[c-]c1n2-c1cc(C([2H])([2H])[2H])ccn1.[Pt]
• InChI: InChI=1S/C75H57N4O.Pt/c1-47-35-36-76-71(40-47)79-67-30-14-10-23-57(67)58-34-33-56(45-70(58)79)80-55-22-17-21-54(44-55)77-46-78(69-32-16-15-31-68(69)77)73-61(52-38-48(2)37-49(3)39-52)42-53(74(4,5)6)43-62(73)59-25-18-29-66-72(59)60-24-9-13-28-65(60)75(66)63-26-11-7-19-50(63)41-51-20-8-12-27-64(51)75;/h7-40,42-43,46H,41H2,1-6H3;/q-3;/i1D3,2D3,3D3,10D,14D,23D,30D,41D2
• InChIKey: PIFOBNYUDNOIOY-VXSXGHTGSA-N
• XLogP: 18.80
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1240.48
LogP ≤ 5	18.80
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 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 176784275) is 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3[c-]c(N4[CH-]N(c5c(-c6cc(C([2H])([2H])[2H])cc(C([2H])([2H])[2H])c6)cc(C(C)(C)C)cc5-c5cccc6c5-c5ccccc5C65c6ccccc6C([2H])([2H])c6ccccc65)c5ccccc54)ccc3)[c-]c1n2-c1cc(C([2H])([2H])[2H])ccn1.[Pt].

What is the InChIKey of 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is PIFOBNYUDNOIOY-VXSXGHTGSA-N. The full InChI is InChI=1S/C75H57N4O.Pt/c1-47-35-36-76-71(40-47)79-67-30-14-10-23-57(67)58-34-33-56(45-70(58)79)80-55-22-17-21-54(44-55)77-46-78(69-32-16-15-31-68(69)77)73-61(52-38-48(2)37-49(3)39-52)42-53(74(4,5)6)43-62(73)59-25-18-29-66-72(59)60-24-9-13-28-65(60)75(66)63-26-11-7-19-50(63)41-51-20-8-12-27-64(51)75;/h7-40,42-43,46H,41H2,1-6H3;/q-3;/i1D3,2D3,3D3,10D,14D,23D,30D,41D2;.

What are the key properties of 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1240.48 g/mol, XLogP of 18.80, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176784275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).