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

C78H55N4OPt-3 — CID 176784140

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

2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-spiro[9H-anthracene-10,9'-fluorene]-2'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-5-[3-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 176784140) has the molecular formula C78H55N4OPt-3 and a molecular weight of 1271.48 g/mol. Its IUPAC name is 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-spiro[9H-anthracene-10,9'-fluorene]-2'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-5-[3-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-spiro[9H-anthracene-10,9'-fluorene]-2'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-5-[3-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 176784140
• Molecular Formula: C78H55N4OPt-3
• Molecular Weight: 1271.48 g/mol
• Exact Mass: 1270.48
• IUPAC Name: 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-spiro[9H-anthracene-10,9'-fluorene]-2'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-5-[3-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1cccc(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7c(-c8cc(C([2H])([2H])[2H])cc(C([2H])([2H])[2H])c8)cccc7-c7ccc8c(c7)C7(c9ccccc9Cc9ccccc97)c7ccccc7-8)c7ccccc76)ccc5)ccc4c4ccccc43)cc2C([2H])([2H])[2H])c1.[Pt]
• InChI: InChI=1S/C78H55N4O.Pt/c1-49-18-15-21-53(39-49)67-47-79-76(42-52(67)4)82-72-31-12-8-25-65(72)66-37-35-60(46-75(66)82)83-59-23-16-22-58(45-59)80-48-81(74-33-14-13-32-73(74)80)77-61(26-17-27-62(77)57-40-50(2)38-51(3)41-57)54-34-36-64-63-24-7-11-30-70(63)78(71(64)44-54)68-28-9-5-19-55(68)43-56-20-6-10-29-69(56)78;/h5-42,44,47-48H,43H2,1-4H3;/q-3;/i1D3,2D3,3D3,4D3
• InChIKey: DSPNHGAQIIWPRV-KXWZVCIVSA-N
• XLogP: 19.48
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1271.48
LogP ≤ 5	19.48
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]-6-spiro[9H-anthracene-10,9'-fluorene]-2'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-5-[3-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-spiro[9H-anthracene-10,9'-fluorene]-2'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-5-[3-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 176784140) is 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-spiro[9H-anthracene-10,9'-fluorene]-2'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-5-[3-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-spiro[9H-anthracene-10,9'-fluorene]-2'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-5-[3-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cccc(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7c(-c8cc(C([2H])([2H])[2H])cc(C([2H])([2H])[2H])c8)cccc7-c7ccc8c(c7)C7(c9ccccc9Cc9ccccc97)c7ccccc7-8)c7ccccc76)ccc5)ccc4c4ccccc43)cc2C([2H])([2H])[2H])c1.[Pt].

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

The InChIKey is DSPNHGAQIIWPRV-KXWZVCIVSA-N. The full InChI is InChI=1S/C78H55N4O.Pt/c1-49-18-15-21-53(39-49)67-47-79-76(42-52(67)4)82-72-31-12-8-25-65(72)66-37-35-60(46-75(66)82)83-59-23-16-22-58(45-59)80-48-81(74-33-14-13-32-73(74)80)77-61(26-17-27-62(77)57-40-50(2)38-51(3)41-57)54-34-36-64-63-24-7-11-30-70(63)78(71(64)44-54)68-28-9-5-19-55(68)43-56-20-6-10-29-69(56)78;/h5-42,44,47-48H,43H2,1-4H3;/q-3;/i1D3,2D3,3D3,4D3;.

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

2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-spiro[9H-anthracene-10,9'-fluorene]-2'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-5-[3-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1271.48 g/mol, XLogP of 19.48, 12 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]-6-spiro[9H-anthracene-10,9'-fluorene]-2'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-5-[3-(trideuteriomethyl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176784140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).