9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C37H33N4OPt-3 — CID 168836099

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-dimethyl-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)-2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 168836099) has the molecular formula C37H33N4OPt-3 and a molecular weight of 747.79 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-dimethyl-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)-2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 168836099
• Molecular Formula: C37H33N4OPt-3
• Molecular Weight: 747.79 g/mol
• Exact Mass: 747.25
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-dimethyl-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)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2cc(C)c(C)cc21.[Pt]
• InChI: InChI=1S/C37H33N4O.Pt/c1-24-18-34-35(19-25(24)2)40(23-39(34)6)27-10-9-11-28(21-27)42-29-14-15-31-30-12-7-8-13-32(30)41(33(31)22-29)36-20-26(16-17-38-36)37(3,4)5;/h7-20,23H,1-6H3;/q-3;/i6D3
• InChIKey: OTNHLCZWPVTGRJ-AZZWRUEWSA-N
• XLogP: 9.19
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.79
LogP ≤ 5	9.19
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)-2-[3-[5,6-dimethyl-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)-2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 168836099) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-dimethyl-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)-2-[3-[5,6-dimethyl-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)-2-[3-[5,6-dimethyl-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)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2cc(C)c(C)cc21.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is OTNHLCZWPVTGRJ-AZZWRUEWSA-N. The full InChI is InChI=1S/C37H33N4O.Pt/c1-24-18-34-35(19-25(24)2)40(23-39(34)6)27-10-9-11-28(21-27)42-29-14-15-31-30-12-7-8-13-32(30)41(33(31)22-29)36-20-26(16-17-38-36)37(3,4)5;/h7-20,23H,1-6H3;/q-3;/i6D3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-dimethyl-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)-2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 747.79 g/mol, XLogP of 9.19, 5 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)-2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168836099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).