1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C₁₀₃H₈₄F₃Ir₆N₁₀O₆PtS-9 — CID 159044127

About 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 159044127) has the molecular formula C₁₀₃H₈₄F₃Ir₆N₁₀O₆PtS-9 and a molecular weight of 2995.31 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• PubChem CID: 159044127
• Molecular Formula: C₁₀₃H₈₄F₃Ir₆N₁₀O₆PtS-9
• Molecular Weight: 2995.31 g/mol
• Exact Mass: 2998.37
• IUPAC Name: 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC1(C)c2ccccc2-c2c[c-]c(-n3cccn3)cc21.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2o1.[c-]1ccsc1-c1ccccn1
• InChI: InChI=1S/C18H15N2.C16H12N2O.C14H12N2.C13H8NO.C12H7F3N.C11H8N.C9H6NS.2C5H8O2.6Ir.Pt/c1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-4(6)3-5(2)7;;;;;;;/h3-7,9-12H,1-2H3;2-6,8-11H,1H3;2-7,9-11H,1H3;1-6,8-9H;1-4,6-8H;1-6,8-9H;1-4,6-7H;2*3,6H,1-2H3;;;;;;;/q-1;2*-2;4*-1
• InChIKey: GAULFFCZLNDGHD-UHFFFAOYSA-N
• XLogP: 24.98
• TPSA: 183.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2995.31
LogP ≤ 5	24.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 159044127) is 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The canonical SMILES for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC1(C)c2ccccc2-c2c[c-]c(-n3cccn3)cc21.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2o1.[c-]1ccsc1-c1ccccn1.

What is the InChIKey of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The InChIKey is GAULFFCZLNDGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2.C16H12N2O.C14H12N2.C13H8NO.C12H7F3N.C11H8N.C9H6NS.2C5H8O2.6Ir.Pt/c1-18(2)16-7-4-3-6-14(16)15-9-8-13(12-17(15)18)20-11-5-10-19-20;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-4(6)3-5(2)7;;;;;;;/h3-7,9-12H,1-2H3;2-6,8-11H,1H3;2-7,9-11H,1H3;1-6,8-9H;1-4,6-8H;1-6,8-9H;1-4,6-7H;2*3,6H,1-2H3;;;;;;;/q-1;2*-2;4*-1;;;;;;;;;.

What are the key properties of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 2995.31 g/mol, XLogP of 24.98, 9 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 159044127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159044127 — identifiers, structure, computed properties (public domain)

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