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

C66H58N4OPt-2 — CID 171427856

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

2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 171427856) has the molecular formula C66H58N4OPt-2 and a molecular weight of 1123.33 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 171427856
• Molecular Formula: C66H58N4OPt-2
• Molecular Weight: 1123.33 g/mol
• Exact Mass: 1122.46
• IUPAC Name: 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-c3cccc(C(C)(C)C)c3)c(-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c(-c3cccc(C(C)(C)C)c3)c2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C66H58N4O.Pt/c1-64(2,3)48-24-17-22-45(36-48)56-38-47(44-20-11-10-12-21-44)39-57(46-23-18-25-49(37-46)65(4,5)6)63(56)69-43-68(59-30-15-16-31-60(59)69)51-26-19-27-52(41-51)71-53-32-33-55-54-28-13-14-29-58(54)70(61(55)42-53)62-40-50(34-35-67-62)66(7,8)9;/h10-40H,1-9H3;/q-2;/i10D,11D,12D,20D,21D
• InChIKey: UDCMPSUIBIZFTB-ACVXSSBNSA-N
• XLogP: 16.48
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1123.33
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 171427856) is 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cc(-c3cccc(C(C)(C)C)c3)c(-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc43)c(-c3cccc(C(C)(C)C)c3)c2)c([2H])c1[2H].[Pt].

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

The InChIKey is UDCMPSUIBIZFTB-ACVXSSBNSA-N. The full InChI is InChI=1S/C66H58N4O.Pt/c1-64(2,3)48-24-17-22-45(36-48)56-38-47(44-20-11-10-12-21-44)39-57(46-23-18-25-49(37-46)65(4,5)6)63(56)69-43-68(59-30-15-16-31-60(59)69)51-26-19-27-52(41-51)71-53-32-33-55-54-28-13-14-29-58(54)70(61(55)42-53)62-40-50(34-35-67-62)66(7,8)9;/h10-40H,1-9H3;/q-2;/i10D,11D,12D,20D,21D;.

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

2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1123.33 g/mol, XLogP of 16.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171427856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).