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

C70H67N4O2Pt-3 — CID 170671656

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-(2,4,6-tritert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 170671656) has the molecular formula C70H67N4O2Pt-3 and a molecular weight of 1201.47 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-(2,4,6-tritert-butylphenoxy)-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-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-(2,4,6-tritert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 170671656
• Molecular Formula: C70H67N4O2Pt-3
• Molecular Weight: 1201.47 g/mol
• Exact Mass: 1200.56
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-(2,4,6-tritert-butylphenoxy)-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])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(Oc5c(C(C)(C)C)cc(C(C)(C)C)cc5C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C70H67N4O2.Pt/c1-67(2,3)48-33-36-60-57(39-48)56-35-34-52(43-63(56)74(60)64-44-53(37-38-71-64)76-66-58(69(7,8)9)40-49(68(4,5)6)41-59(66)70(10,11)12)75-51-28-21-27-50(42-51)72-45-73(62-32-20-19-31-61(62)72)65-54(46-23-15-13-16-24-46)29-22-30-55(65)47-25-17-14-18-26-47;/h13-41,44-45H,1-12H3;/q-3;/i13D,14D,15D,16D,17D,18D,23D,24D,25D,26D
• InChIKey: QACAWSJBECILCM-HWNFRNHMSA-N
• XLogP: 19.29
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1201.47
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-(2,4,6-tritert-butylphenoxy)-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-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-(2,4,6-tritert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 170671656) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-(2,4,6-tritert-butylphenoxy)-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-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-(2,4,6-tritert-butylphenoxy)-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-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-(2,4,6-tritert-butylphenoxy)-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])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(Oc5c(C(C)(C)C)cc(C(C)(C)C)cc5C(C)(C)C)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-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-(2,4,6-tritert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is QACAWSJBECILCM-HWNFRNHMSA-N. The full InChI is InChI=1S/C70H67N4O2.Pt/c1-67(2,3)48-33-36-60-57(39-48)56-35-34-52(43-63(56)74(60)64-44-53(37-38-71-64)76-66-58(69(7,8)9)40-49(68(4,5)6)41-59(66)70(10,11)12)75-51-28-21-27-50(42-51)72-45-73(62-32-20-19-31-61(62)72)65-54(46-23-15-13-16-24-46)29-22-30-55(65)47-25-17-14-18-26-47;/h13-41,44-45H,1-12H3;/q-3;/i13D,14D,15D,16D,17D,18D,23D,24D,25D,26D;.

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-(2,4,6-tritert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1201.47 g/mol, XLogP of 19.29, 9 rotatable bonds, 0 hydrogen bond donors, and 6 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-2-id-1-yl]benzene-2-id-1-yl]oxy-6-tert-butyl-9-[4-(2,4,6-tritert-butylphenoxy)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 170671656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).