9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C41H33N4OPt-3 — CID 153490660

About 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 153490660) has the molecular formula C41H33N4OPt-3 and a molecular weight of 795.84 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 153490660
• Molecular Formula: C41H33N4OPt-3
• Molecular Weight: 795.84 g/mol
• Exact Mass: 795.25
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(-c5ccccc5)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C41H33N4O.Pt/c1-41(2,3)30-21-22-42-40(24-30)45-36-20-17-29(28-11-6-5-7-12-28)23-35(36)34-19-18-33(26-39(34)45)46-32-14-10-13-31(25-32)44-27-43(4)37-15-8-9-16-38(37)44;/h5-24,27H,1-4H3;/q-3;/i4D3
• InChIKey: CVFQPGCHDOSEFH-NXIGQQGZSA-N
• XLogP: 10.24
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.84
LogP ≤ 5	10.24
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-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 153490660) is 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])N1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(-c5ccccc5)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is CVFQPGCHDOSEFH-NXIGQQGZSA-N. The full InChI is InChI=1S/C41H33N4O.Pt/c1-41(2,3)30-21-22-42-40(24-30)45-36-20-17-29(28-11-6-5-7-12-28)23-35(36)34-19-18-33(26-39(34)45)46-32-14-10-13-31(25-32)44-27-43(4)37-15-8-9-16-38(37)44;/h5-24,27H,1-4H3;/q-3;/i4D3;.

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

9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 795.84 g/mol, XLogP of 10.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 153490660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).