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

C36H33N4OPt- — CID 162465537

IUPACplatinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium
SMILES[2H]C([2H])([2H])N1[OH+]N(c2[c-]c(C(C)(C)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)ccc2)c2ccccc21.[Pt]
InChIInChI=1S/C36H32N4O.Pt/c1-24(2)25-19-20-37-35(21-25)39-31-14-7-6-13-29(31)30-18-17-27(23-34(30)39)36(3,4)26-11-10-12-28(22-26)40-33-16-9-8-15-32(33)38(5)41-40;/h6-21,24H,1-5H3;/q-2;/p+1/i5D3;
InChIKeyLAPUEKHAQBHVGT-OWKBQAHQSA-O
MW735.78 g/mol
LogP8.65
Rot. Bonds6

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

platinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium (PubChem CID 162465537) has the molecular formula C36H33N4OPt- and a molecular weight of 735.78 g/mol. Its IUPAC name is platinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium.

Molecular Properties

Compound Nameplatinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium
PubChem CID162465537
Molecular FormulaC36H33N4OPt-
Molecular Weight735.78 g/mol
Exact Mass735.25
IUPAC Nameplatinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium
SMILES[2H]C([2H])([2H])N1[OH+]N(c2[c-]c(C(C)(C)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)ccc2)c2ccccc21.[Pt]
InChIInChI=1S/C36H32N4O.Pt/c1-24(2)25-19-20-37-35(21-25)39-31-14-7-6-13-29(31)30-18-17-27(23-34(30)39)36(3,4)26-11-10-12-28(22-26)40-33-16-9-8-15-32(33)38(5)41-40;/h6-21,24H,1-5H3;/q-2;/p+1/i5D3;
InChIKeyLAPUEKHAQBHVGT-OWKBQAHQSA-O
XLogP8.65
TPSA37.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.78
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze platinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium with MolForge

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Related Compounds

3-[3-[2-[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-1-methyl-2,1,3-benzoxadiazol-2-ium;platinum
CID 162465273
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
[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]silane;platinum
CID 162465213
3-tert-butyl-1-[3-[2-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum
CID 162465343
1-[3-[2-[9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum
CID 162465330
1-[3-[diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]methyl]benzene-2-id-1-yl]-3-propan-2-yl-2,1,3-benzoxadiazol-2-ium;platinum
CID 162465541
3-tert-butyl-1-[3-[9-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]fluoren-9-yl]benzene-2-id-1-yl]-2,1,3-benzoxadiazol-2-ium;platinum
CID 162465485
9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum(2+)
CID 167382175
N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium-1-yl]benzene-2-id-1-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum
CID 162465205
[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum
CID 162465145
9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]propan-2-yl]-1H-carbazol-1-ide;platinum
CID 155652115
[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-diphenyl-[9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]silane;platinum
CID 162465252

Frequently Asked Questions

What is the IUPAC name of platinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium?
The IUPAC name of platinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium (CID 162465537) is platinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium.
What is the SMILES notation for platinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium?
The canonical SMILES for platinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium is [2H]C([2H])([2H])N1[OH+]N(c2[c-]c(C(C)(C)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)ccc2)c2ccccc21.[Pt].
What is the InChIKey of platinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium?
The InChIKey is LAPUEKHAQBHVGT-OWKBQAHQSA-O. The full InChI is InChI=1S/C36H32N4O.Pt/c1-24(2)25-19-20-37-35(21-25)39-31-14-7-6-13-29(31)30-18-17-27(23-34(30)39)36(3,4)26-11-10-12-28(22-26)40-33-16-9-8-15-32(33)38(5)41-40;/h6-21,24H,1-5H3;/q-2;/p+1/i5D3;.
What are the key properties of platinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium?
platinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium has a molecular weight of 735.78 g/mol, XLogP of 8.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;1-[3-[2-[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazol-2-ium is sourced from PubChem (CID 162465537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).