1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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

C111H91F3Ir6N9O8PtS2-9 — CID 158346827

About 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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 158346827) has the molecular formula C111H91F3Ir6N9O8PtS2-9 and a molecular weight of 3148.51 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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: 158346827
• Molecular Formula: C111H91F3Ir6N9O8PtS2-9
• Molecular Weight: 3148.51 g/mol
• Exact Mass: 3151.39
• IUPAC Name: 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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.CC(=O)C=C(C)O.CC1(C)c2ccccc2-c2c[c-]c(N3C=CN[CH-]3)cc21.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccc2ccccc2c1-c1nc2ccccc2s1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2o1.[c-]1ccsc1-c1ccccn1
• InChI: InChI=1S/C18H16N2.C17H10NS.C16H12N2O.C13H8NO.C12H7F3N.C11H8N.C9H6NS.3C5H8O2.6Ir.Pt/c1-18(2)16-6-4-3-5-14(16)15-8-7-13(11-17(15)18)20-10-9-19-12-20;1-2-8-13-12(6-1)7-5-9-14(13)17-18-15-10-3-4-11-16(15)19-17;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;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;3*1-4(6)3-5(2)7;;;;;;;/h3-6,8-12,19H,1-2H3;1-8,10-11H;2-6,8-11H,1H3;1-6,8-9H;1-4,6-8H;1-6,8-9H;1-4,6-7H;3*3,6H,1-2H3;;;;;;;/q-2;-1;-2;4*-1
• InChIKey: HHUJOONJONZMLQ-UHFFFAOYSA-N
• XLogP: 27.55
• TPSA: 224.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3148.51
LogP ≤ 5	27.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

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;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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 158346827) is 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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.CC(=O)C=C(C)O.CC1(C)c2ccccc2-c2c[c-]c(N3C=CN[CH-]3)cc21.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccc2ccccc2c1-c1nc2ccccc2s1.[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;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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 HHUJOONJONZMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2.C17H10NS.C16H12N2O.C13H8NO.C12H7F3N.C11H8N.C9H6NS.3C5H8O2.6Ir.Pt/c1-18(2)16-6-4-3-5-14(16)15-8-7-13(11-17(15)18)20-10-9-19-12-20;1-2-8-13-12(6-1)7-5-9-14(13)17-18-15-10-3-4-11-16(15)19-17;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;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;3*1-4(6)3-5(2)7;;;;;;;/h3-6,8-12,19H,1-2H3;1-8,10-11H;2-6,8-11H,1H3;1-6,8-9H;1-4,6-8H;1-6,8-9H;1-4,6-7H;3*3,6H,1-2H3;;;;;;;/q-2;-1;-2;4*-1;;;;;;;;;;.

What are the key properties of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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 3148.51 g/mol, XLogP of 27.55, 10 rotatable bonds, 4 hydrogen bond donors, and 19 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;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1,2-dihydroimidazol-2-ide;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;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 158346827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).