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-tri(propan-2-yl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum

C67H61N4O2Pt-3 — CID 170671733

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-tri(propan-2-yl)phenoxy]-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-tri(propan-2-yl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 170671733) has the molecular formula C67H61N4O2Pt-3 and a molecular weight of 1159.39 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-tri(propan-2-yl)phenoxy]-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-tri(propan-2-yl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 170671733
• Molecular Formula: C67H61N4O2Pt-3
• Molecular Weight: 1159.39 g/mol
• Exact Mass: 1158.51
• 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-tri(propan-2-yl)phenoxy]-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)cc(C(C)C)cc5C(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C67H61N4O2.Pt/c1-43(2)48-36-57(44(3)4)66(58(37-48)45(5)6)73-53-34-35-68-64(41-53)71-60-33-30-49(67(7,8)9)38-59(60)56-32-31-52(40-63(56)71)72-51-25-18-24-50(39-51)69-42-70(62-29-17-16-28-61(62)69)65-54(46-20-12-10-13-21-46)26-19-27-55(65)47-22-14-11-15-23-47;/h10-38,41-45H,1-9H3;/q-3;/i10D,11D,12D,13D,14D,15D,20D,21D,22D,23D
• InChIKey: IOJPWRAPCASKEA-DDYVHMRMSA-N
• XLogP: 18.77
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1159.39
LogP ≤ 5	18.77
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-tri(propan-2-yl)phenoxy]-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-tri(propan-2-yl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 170671733) 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-tri(propan-2-yl)phenoxy]-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-tri(propan-2-yl)phenoxy]-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-tri(propan-2-yl)phenoxy]-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)cc(C(C)C)cc5C(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-tri(propan-2-yl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is IOJPWRAPCASKEA-DDYVHMRMSA-N. The full InChI is InChI=1S/C67H61N4O2.Pt/c1-43(2)48-36-57(44(3)4)66(58(37-48)45(5)6)73-53-34-35-68-64(41-53)71-60-33-30-49(67(7,8)9)38-59(60)56-32-31-52(40-63(56)71)72-51-25-18-24-50(39-51)69-42-70(62-29-17-16-28-61(62)69)65-54(46-20-12-10-13-21-46)26-19-27-55(65)47-22-14-11-15-23-47;/h10-38,41-45H,1-9H3;/q-3;/i10D,11D,12D,13D,14D,15D,20D,21D,22D,23D;.

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-tri(propan-2-yl)phenoxy]-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-tri(propan-2-yl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1159.39 g/mol, XLogP of 18.77, 12 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-tri(propan-2-yl)phenoxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 170671733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).