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

C46H43N4OPt-3 — CID 153490743

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

2-[3-[3-[3,5-bis(1,2-dideuteriopropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 153490743) has the molecular formula C46H43N4OPt-3 and a molecular weight of 866.98 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(1,2-dideuteriopropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[3,5-bis(1,2-dideuteriopropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 153490743
• Molecular Formula: C46H43N4OPt-3
• Molecular Weight: 866.98 g/mol
• Exact Mass: 866.34
• IUPAC Name: 2-[3-[3-[3,5-bis(1,2-dideuteriopropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]CC([2H])(C)c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)cc(C([2H])(C)C[2H])c1.[Pt]
• InChI: InChI=1S/C46H43N4O.Pt/c1-30(2)32-23-33(31(3)4)25-36(24-32)49-29-48(42-17-10-11-18-43(42)49)35-13-12-14-37(27-35)51-38-19-20-40-39-15-8-9-16-41(39)50(44(40)28-38)45-26-34(21-22-47-45)46(5,6)7;/h8-26,29-31H,1-7H3;/q-3;/i1D,3D,30D,31D
• InChIKey: ROEHARYNJCZPAH-GWFNVAFQSA-N
• XLogP: 12.52
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	866.98
LogP ≤ 5	12.52
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-[3,5-bis(1,2-dideuteriopropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[3,5-bis(1,2-dideuteriopropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 153490743) is 2-[3-[3-[3,5-bis(1,2-dideuteriopropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[3,5-bis(1,2-dideuteriopropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[3,5-bis(1,2-dideuteriopropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is [2H]CC([2H])(C)c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)cc(C([2H])(C)C[2H])c1.[Pt].

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

The InChIKey is ROEHARYNJCZPAH-GWFNVAFQSA-N. The full InChI is InChI=1S/C46H43N4O.Pt/c1-30(2)32-23-33(31(3)4)25-36(24-32)49-29-48(42-17-10-11-18-43(42)49)35-13-12-14-37(27-35)51-38-19-20-40-39-15-8-9-16-41(39)50(44(40)28-38)45-26-34(21-22-47-45)46(5,6)7;/h8-26,29-31H,1-7H3;/q-3;/i1D,3D,30D,31D;.

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

2-[3-[3-[3,5-bis(1,2-dideuteriopropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 866.98 g/mol, XLogP of 12.52, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3,5-bis(1,2-dideuteriopropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 153490743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).