2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum

C74H64N7OPt-3 — CID 168799847

About 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum (PubChem CID 168799847) has the molecular formula C74H64N7OPt-3 and a molecular weight of 1272.51 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum
• PubChem CID: 168799847
• Molecular Formula: C74H64N7OPt-3
• Molecular Weight: 1272.51 g/mol
• Exact Mass: 1271.55
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3[c-]c(Oc4[c-]c5c(cc4-c4nc(C(C)(C)c6ccccc6)nc(C(C)(C)c6ccccc6)n4)c4ccccc4n5-c4ccccn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[CH3-].[Pt]
• InChI: InChI=1S/C73H61N7O.CH3.Pt/c1-71(2,3)53-43-54(78-48-79(63-40-23-22-39-62(63)78)67-56(49-27-12-8-13-28-49)36-26-37-57(67)50-29-14-9-15-30-50)45-55(44-53)81-65-47-64-59(58-35-20-21-38-61(58)80(64)66-41-24-25-42-74-66)46-60(65)68-75-69(72(4,5)51-31-16-10-17-32-51)77-70(76-68)73(6,7)52-33-18-11-19-34-52;;/h8-44,46H,48H2,1-7H3;1H3;/q-2;-1;/i8D,9D,12D,13D,14D,15D,27D,28D,29D,30D
• InChIKey: LUDSDJJMOROBFJ-AEOIFVJISA-N
• XLogP: 18.40
• TPSA: 72.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1272.51
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum (CID 168799847) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum.

What is the SMILES notation for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum?

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3[c-]c(Oc4[c-]c5c(cc4-c4nc(C(C)(C)c6ccccc6)nc(C(C)(C)c6ccccc6)n4)c4ccccc4n5-c4ccccn4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H].[CH3-].[Pt].

What is the InChIKey of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum?

The InChIKey is LUDSDJJMOROBFJ-AEOIFVJISA-N. The full InChI is InChI=1S/C73H61N7O.CH3.Pt/c1-71(2,3)53-43-54(78-48-79(63-40-23-22-39-62(63)78)67-56(49-27-12-8-13-28-49)36-26-37-57(67)50-29-14-9-15-30-50)45-55(44-53)81-65-47-64-59(58-35-20-21-38-61(58)80(64)66-41-24-25-42-74-66)46-60(65)68-75-69(72(4,5)51-31-16-10-17-32-51)77-70(76-68)73(6,7)52-33-18-11-19-34-52;;/h8-44,46H,48H2,1-7H3;1H3;/q-2;-1;/i8D,9D,12D,13D,14D,15D,27D,28D,29D,30D;;.

What are the key properties of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum?

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum has a molecular weight of 1272.51 g/mol, XLogP of 18.40, 12 rotatable bonds, 0 hydrogen bond donors, and 8 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-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-3-[4,6-bis(2-phenylpropan-2-yl)-1,3,5-triazin-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;carbanide;platinum is sourced from PubChem (CID 168799847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).