9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum

C82H73N4OPt-3 — CID 177276290

About 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum

9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum (PubChem CID 177276290) has the molecular formula C82H73N4OPt-3 and a molecular weight of 1345.71 g/mol. Its IUPAC name is 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum
• PubChem CID: 177276290
• Molecular Formula: C82H73N4OPt-3
• Molecular Weight: 1345.71 g/mol
• Exact Mass: 1344.67
• IUPAC Name: 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7c(-c8c([2H])c(-c9ccccc9)c([2H])c(-c9c([2H])c([2H])c([2H])c([2H])c9[2H])c8[2H])cc(C(C)(C)C)cc7-c7c([2H])c([2H])c8c(c7[2H])C(C)(C)CCC8(C)C)c7ccccc76)ccc5)ccc4c4c([2H])c([2H])c([2H])c([2H])c43)cc2C(C)(C)C)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C82H73N4O.Pt/c1-79(2,3)61-47-67(57-37-40-70-72(46-57)82(9,10)42-41-81(70,7)8)78(68(48-61)60-44-58(54-25-14-11-15-26-54)43-59(45-60)55-27-16-12-17-28-55)85-53-84(74-35-22-23-36-75(74)85)62-31-24-32-63(49-62)87-64-38-39-66-65-33-20-21-34-73(65)86(76(66)50-64)77-51-71(80(4,5)6)69(52-83-77)56-29-18-13-19-30-56;/h11-40,43-48,51-53H,41-42H2,1-10H3;/q-3;/i11D,13D,14D,15D,18D,19D,20D,21D,25D,26D,29D,30D,33D,34D,37D,40D,43D,44D,45D,46D
• InChIKey: JLPXOGYXENXHEY-CCOPFBOJSA-N
• XLogP: 22.26
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1345.71
LogP ≤ 5	22.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum (CID 177276290) is 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7c(-c8c([2H])c(-c9ccccc9)c([2H])c(-c9c([2H])c([2H])c([2H])c([2H])c9[2H])c8[2H])cc(C(C)(C)C)cc7-c7c([2H])c([2H])c8c(c7[2H])C(C)(C)CCC8(C)C)c7ccccc76)ccc5)ccc4c4c([2H])c([2H])c([2H])c([2H])c43)cc2C(C)(C)C)c([2H])c1[2H].[Pt].

What is the InChIKey of 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

The InChIKey is JLPXOGYXENXHEY-CCOPFBOJSA-N. The full InChI is InChI=1S/C82H73N4O.Pt/c1-79(2,3)61-47-67(57-37-40-70-72(46-57)82(9,10)42-41-81(70,7)8)78(68(48-61)60-44-58(54-25-14-11-15-26-54)43-59(45-60)55-27-16-12-17-28-55)85-53-84(74-35-22-23-36-75(74)85)62-31-24-32-63(49-62)87-64-38-39-66-65-33-20-21-34-73(65)86(76(66)50-64)77-51-71(80(4,5)6)69(52-83-77)56-29-18-13-19-30-56;/h11-40,43-48,51-53H,41-42H2,1-10H3;/q-3;/i11D,13D,14D,15D,18D,19D,20D,21D,25D,26D,29D,30D,33D,34D,37D,40D,43D,44D,45D,46D;.

What are the key properties of 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum?

9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum has a molecular weight of 1345.71 g/mol, XLogP of 22.26, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177276290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).