2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(1,1-dideuterio-2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C70H49N5OPt-2 — CID 171610334

About 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(1,1-dideuterio-2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(1,1-dideuterio-2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 171610334) has the molecular formula C70H49N5OPt-2 and a molecular weight of 1183.35 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(1,1-dideuterio-2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(1,1-dideuterio-2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 171610334
• Molecular Formula: C70H49N5OPt-2
• Molecular Weight: 1183.35 g/mol
• Exact Mass: 1182.43
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(1,1-dideuterio-2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4cc(C([2H])([2H])C(C)(C)c5ccccc5)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C70H49N5O.Pt/c1-70(2,51-24-10-5-11-25-51)46-48-40-41-71-68(42-48)75-64-39-36-53(74-62-32-14-12-28-58(62)59-29-13-15-33-63(59)74)44-61(64)60-38-37-55(45-67(60)75)76-54-27-18-26-52(43-54)72-47-73(66-35-17-16-34-65(66)72)69-56(49-20-6-3-7-21-49)30-19-31-57(69)50-22-8-4-9-23-50;/h3-42,44H,46H2,1-2H3;/q-2;/i3D,4D,6D,7D,8D,9D,20D,21D,22D,23D,46D2
• InChIKey: KJDGEKWJRKARAZ-JLFYEGCYSA-N
• XLogP: 16.54
• TPSA: 40.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1183.35
LogP ≤ 5	16.54
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 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(1,1-dideuterio-2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(1,1-dideuterio-2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 171610334) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(1,1-dideuterio-2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(1,1-dideuterio-2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(1,1-dideuterio-2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4cc(C([2H])([2H])C(C)(C)c5ccccc5)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

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

The InChIKey is KJDGEKWJRKARAZ-JLFYEGCYSA-N. The full InChI is InChI=1S/C70H49N5O.Pt/c1-70(2,51-24-10-5-11-25-51)46-48-40-41-71-68(42-48)75-64-39-36-53(74-62-32-14-12-28-58(62)59-29-13-15-33-63(59)74)44-61(64)60-38-37-55(45-67(60)75)76-54-27-18-26-52(43-54)72-47-73(66-35-17-16-34-65(66)72)69-56(49-20-6-3-7-21-49)30-19-31-57(69)50-22-8-4-9-23-50;/h3-42,44H,46H2,1-2H3;/q-2;/i3D,4D,6D,7D,8D,9D,20D,21D,22D,23D,46D2;.

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(1,1-dideuterio-2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1183.35 g/mol, XLogP of 16.54, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6-carbazol-9-yl-9-[4-(1,1-dideuterio-2-methyl-2-phenylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171610334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).