9-[5-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2-phenyldibenzofuran-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C83H74N4O2Pt-2 — CID 176797704

About 9-[5-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2-phenyldibenzofuran-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-[5-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2-phenyldibenzofuran-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176797704) has the molecular formula C83H74N4O2Pt-2 and a molecular weight of 1357.63 g/mol. Its IUPAC name is 9-[5-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2-phenyldibenzofuran-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[5-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2-phenyldibenzofuran-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176797704
• Molecular Formula: C83H74N4O2Pt-2
• Molecular Weight: 1357.63 g/mol
• Exact Mass: 1356.57
• IUPAC Name: 9-[5-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2-phenyldibenzofuran-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccccc7)ccc7oc8ccccc8c67)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.[Pt]
• InChI: InChI=1S/C83H74N4O2.Pt/c1-52-38-77(84-50-70(52)58-40-54(56-42-59(80(2,3)4)46-60(43-56)81(5,6)7)39-55(41-58)57-44-61(82(8,9)10)47-62(45-57)83(11,12)13)87-71-30-19-17-28-67(71)68-35-34-65(49-74(68)87)88-64-27-23-26-63(48-64)85-51-86(73-32-21-20-31-72(73)85)79-66(53-24-15-14-16-25-53)36-37-76-78(79)69-29-18-22-33-75(69)89-76;/h14-47,50H,1-13H3;/q-2;/i1D3
• InChIKey: SCGJLJYGISLFIS-NIIDSAIPSA-N
• XLogP: 21.66
• TPSA: 49.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1357.63
LogP ≤ 5	21.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[5-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2-phenyldibenzofuran-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[5-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2-phenyldibenzofuran-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176797704) is 9-[5-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2-phenyldibenzofuran-1-yl)-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-[5-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2-phenyldibenzofuran-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-[5-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2-phenyldibenzofuran-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccccc7)ccc7oc8ccccc8c67)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.[Pt].

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

The InChIKey is SCGJLJYGISLFIS-NIIDSAIPSA-N. The full InChI is InChI=1S/C83H74N4O2.Pt/c1-52-38-77(84-50-70(52)58-40-54(56-42-59(80(2,3)4)46-60(43-56)81(5,6)7)39-55(41-58)57-44-61(82(8,9)10)47-62(45-57)83(11,12)13)87-71-30-19-17-28-67(71)68-35-34-65(49-74(68)87)88-64-27-23-26-63(48-64)85-51-86(73-32-21-20-31-72(73)85)79-66(53-24-15-14-16-25-53)36-37-76-78(79)69-29-18-22-33-75(69)89-76;/h14-47,50H,1-13H3;/q-2;/i1D3;.

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

9-[5-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2-phenyldibenzofuran-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1357.63 g/mol, XLogP of 21.66, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2-phenyldibenzofuran-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176797704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).