1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum

C55H47N4OPt- — CID 162465331

About 1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum

1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum (PubChem CID 162465331) has the molecular formula C55H47N4OPt- and a molecular weight of 978.10 g/mol. Its IUPAC name is 1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum.

Molecular Properties

• Compound Name: 1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum
• PubChem CID: 162465331
• Molecular Formula: C55H47N4OPt-
• Molecular Weight: 978.10 g/mol
• Exact Mass: 977.36
• IUPAC Name: 1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum
• SMILES: [2H]C([2H])([2H])N1[OH+]N(c2[c-]c(C(c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4c(C(C)C)cccc4C(C)C)ccn3)(c3ccccc3)c3ccccc3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C55H46N4O.Pt/c1-37(2)45-25-17-26-46(38(3)4)54(45)39-32-33-56-53(34-39)58-49-27-13-12-24-47(49)48-31-30-43(36-52(48)58)55(40-18-8-6-9-19-40,41-20-10-7-11-21-41)42-22-16-23-44(35-42)59-51-29-15-14-28-50(51)57(5)60-59;/h6-34,37-38H,1-5H3;/q-2;/p+1/i5D3
• InChIKey: OVJKMDODTVOGLC-OWKBQAHQSA-O
• XLogP: 13.50
• TPSA: 37.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	978.10
LogP ≤ 5	13.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum?

The IUPAC name of 1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum (CID 162465331) is 1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum.

What is the SMILES notation for 1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum?

The canonical SMILES for 1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum is [2H]C([2H])([2H])N1[OH+]N(c2[c-]c(C(c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4c(C(C)C)cccc4C(C)C)ccn3)(c3ccccc3)c3ccccc3)ccc2)c2ccccc21.[Pt].

What is the InChIKey of 1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum?

The InChIKey is OVJKMDODTVOGLC-OWKBQAHQSA-O. The full InChI is InChI=1S/C55H46N4O.Pt/c1-37(2)45-25-17-26-46(38(3)4)54(45)39-32-33-56-53(34-39)58-49-27-13-12-24-47(49)48-31-30-43(36-52(48)58)55(40-18-8-6-9-19-40,41-20-10-7-11-21-41)42-22-16-23-44(35-42)59-51-29-15-14-28-50(51)57(5)60-59;/h6-34,37-38H,1-5H3;/q-2;/p+1/i5D3;.

What are the key properties of 1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum?

1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum has a molecular weight of 978.10 g/mol, XLogP of 13.50, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-diphenylmethyl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium;platinum is sourced from PubChem (CID 162465331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).