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

C61H38N6OPt-2 — CID 154594749

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

2-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 154594749) has the molecular formula C61H38N6OPt-2 and a molecular weight of 1069.11 g/mol. Its IUPAC name is 2-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 154594749
• Molecular Formula: C61H38N6OPt-2
• Molecular Weight: 1069.11 g/mol
• Exact Mass: 1068.30
• IUPAC Name: 2-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c2cccc(-c3c(-n4c5ccccc5c5ccccc54)cccc3-n3c4ccccc4c4ccccc43)c21.[Pt]
• InChI: InChI=1S/C61H38N6O.Pt/c1-63-39-64(40-17-14-18-41(37-40)68-42-34-35-48-47-23-6-11-29-54(47)67(58(48)38-42)59-33-12-13-36-62-59)57-32-15-24-49(61(57)63)60-55(65-50-25-7-2-19-43(50)44-20-3-8-26-51(44)65)30-16-31-56(60)66-52-27-9-4-21-45(52)46-22-5-10-28-53(46)66;/h2-36H,1H3;/q-2;/i1D3
• InChIKey: BBDLXWPZJYWJSY-NIIDSAIPSA-N
• XLogP: 14.00
• TPSA: 45.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1069.11
LogP ≤ 5	14.00
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 2-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 154594749) is 2-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c2cccc(-c3c(-n4c5ccccc5c5ccccc54)cccc3-n3c4ccccc4c4ccccc43)c21.[Pt].

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

The InChIKey is BBDLXWPZJYWJSY-NIIDSAIPSA-N. The full InChI is InChI=1S/C61H38N6O.Pt/c1-63-39-64(40-17-14-18-41(37-40)68-42-34-35-48-47-23-6-11-29-54(47)67(58(48)38-42)59-33-12-13-36-62-59)57-32-15-24-49(61(57)63)60-55(65-50-25-7-2-19-43(50)44-20-3-8-26-51(44)65)30-16-31-56(60)66-52-27-9-4-21-45(52)46-22-5-10-28-53(46)66;/h2-36H,1H3;/q-2;/i1D3;.

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

2-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1069.11 g/mol, XLogP of 14.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 154594749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).