9-[5-[3,5-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C79H50N6OPt-2 — CID 176797996

About 9-[5-[3,5-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-[5-[3,5-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176797996) has the molecular formula C79H50N6OPt-2 and a molecular weight of 1297.41 g/mol. Its IUPAC name is 9-[5-[3,5-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-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-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176797996
• Molecular Formula: C79H50N6OPt-2
• Molecular Weight: 1297.41 g/mol
• Exact Mass: 1296.39
• IUPAC Name: 9-[5-[3,5-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-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)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C79H50N6O.Pt/c1-52-44-78(80-50-69(52)55-45-57(83-70-35-13-8-28-63(70)64-29-9-14-36-71(64)83)47-58(46-55)84-72-37-15-10-30-65(72)66-31-11-16-38-73(66)84)85-74-39-17-12-32-67(74)68-43-42-60(49-77(68)85)86-59-27-20-26-56(48-59)81-51-82(76-41-19-18-40-75(76)81)79-61(53-22-4-2-5-23-53)33-21-34-62(79)54-24-6-3-7-25-54;/h2-47,50H,1H3;/q-2;/i1D3
• InChIKey: PDZVYLNWOFFYHQ-NIIDSAIPSA-N
• XLogP: 19.09
• TPSA: 45.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1297.41
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-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-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176797996) is 9-[5-[3,5-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-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-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-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-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-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)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 9-[5-[3,5-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is PDZVYLNWOFFYHQ-NIIDSAIPSA-N. The full InChI is InChI=1S/C79H50N6O.Pt/c1-52-44-78(80-50-69(52)55-45-57(83-70-35-13-8-28-63(70)64-29-9-14-36-71(64)83)47-58(46-55)84-72-37-15-10-30-65(72)66-31-11-16-38-73(66)84)85-74-39-17-12-32-67(74)68-43-42-60(49-77(68)85)86-59-27-20-26-56(48-59)81-51-82(76-41-19-18-40-75(76)81)79-61(53-22-4-2-5-23-53)33-21-34-62(79)54-24-6-3-7-25-54;/h2-47,50H,1H3;/q-2;/i1D3;.

What are the key properties of 9-[5-[3,5-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-[5-[3,5-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1297.41 g/mol, XLogP of 19.09, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-[3,5-di(carbazol-9-yl)phenyl]-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176797996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).