2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum

C75H75N4OPt-3 — CID 177133264

About 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum

2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum (PubChem CID 177133264) has the molecular formula C75H75N4OPt-3 and a molecular weight of 1248.56 g/mol. Its IUPAC name is 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 177133264
• Molecular Formula: C75H75N4OPt-3
• Molecular Weight: 1248.56 g/mol
• Exact Mass: 1247.59
• IUPAC Name: 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1ccc2c(c1)c1ccc(Oc3[c-]c(N4[CH-]N(c5c(-c6ccccc6)cccc5-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccccc54)ccc3)[c-]c1n2-c1cc(C([2H])([2H])C(C)C)c(-c2cccc3c2C(C)(C)CCC3(C)C)cn1.[Pt]
• InChI: InChI=1S/C75H75N4O.Pt/c1-48(2)38-51-42-69(76-46-63(51)61-28-21-29-64-70(61)75(12,13)37-36-74(64,10)11)79-65-35-32-49(3)39-62(65)60-34-33-57(45-68(60)79)80-56-25-19-24-55(44-56)77-47-78(67-31-18-17-30-66(67)77)71-58(50-22-15-14-16-23-50)26-20-27-59(71)52-40-53(72(4,5)6)43-54(41-52)73(7,8)9;/h14-35,39-43,46-48H,36-38H2,1-13H3;/q-3;/i3D3,38D2
• InChIKey: QVSNUCHWALKYJD-JJFRYBCASA-N
• XLogP: 20.43
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1248.56
LogP ≤ 5	20.43
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 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum (CID 177133264) is 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1ccc2c(c1)c1ccc(Oc3[c-]c(N4[CH-]N(c5c(-c6ccccc6)cccc5-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccccc54)ccc3)[c-]c1n2-c1cc(C([2H])([2H])C(C)C)c(-c2cccc3c2C(C)(C)CCC3(C)C)cn1.[Pt].

What is the InChIKey of 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum?

The InChIKey is QVSNUCHWALKYJD-JJFRYBCASA-N. The full InChI is InChI=1S/C75H75N4O.Pt/c1-48(2)38-51-42-69(76-46-63(51)61-28-21-29-64-70(61)75(12,13)37-36-74(64,10)11)79-65-35-32-49(3)39-62(65)60-34-33-57(45-68(60)79)80-56-25-19-24-55(44-56)77-47-78(67-31-18-17-30-66(67)77)71-58(50-22-15-14-16-23-50)26-20-27-59(71)52-40-53(72(4,5)6)43-54(41-52)73(7,8)9;/h14-35,39-43,46-48H,36-38H2,1-13H3;/q-3;/i3D3,38D2;.

What are the key properties of 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum?

2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1248.56 g/mol, XLogP of 20.43, 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-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-2-pyridinyl]-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177133264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).