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);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C171H130F3Ir8N14O5Pt-13 — CID 158894212

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);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;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);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 158894212) has the molecular formula C171H130F3Ir8N14O5Pt-13 and a molecular weight of 4250.82 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);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;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);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• PubChem CID: 158894212
• Molecular Formula: C171H130F3Ir8N14O5Pt-13
• Molecular Weight: 4250.82 g/mol
• Exact Mass: 4254.71
• 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);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;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].[Ir].[Ir].[Pt].[c-]1cc2ccccc2cc1-c1cc2ccccc2cn1.[c-]1cc2ccccc2cc1-c1nccc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/2C19H12N.C18H15N2.C16H12N2O.2C15H10N.C14H12N2.C12H7F3N.3C11H8N.2C5H8O2.8Ir.Pt/c1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;1-2-6-15-11-17(10-9-14(15)5-1)19-12-16-7-3-4-8-18(16)13-20-19;1-18(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;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-4(6)3-5(2)7;;;;;;;;;/h2*1-9,11-13H;3-7,9-12H,1-2H3;2-6,8-11H,1H3;2*1-7,9-11H;2-7,9-11H,1H3;1-4,6-8H;3*1-6,8-9H;2*3,6H,1-2H3;;;;;;;;;/q3*-1;-2;2*-1;-2;4*-1
• InChIKey: RSSCELZPVFXPQB-UHFFFAOYSA-N
• XLogP: 41.28
• TPSA: 221.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4250.82
LogP ≤ 5	41.28
H-Bond Donors ≤ 5	2
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;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;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);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 158894212) 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);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;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);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;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);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;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].[Ir].[Ir].[Pt].[c-]1cc2ccccc2cc1-c1cc2ccccc2cn1.[c-]1cc2ccccc2cc1-c1nccc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.

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);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The InChIKey is RSSCELZPVFXPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H12N.C18H15N2.C16H12N2O.2C15H10N.C14H12N2.C12H7F3N.3C11H8N.2C5H8O2.8Ir.Pt/c1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;1-2-6-15-11-17(10-9-14(15)5-1)19-12-16-7-3-4-8-18(16)13-20-19;1-18(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;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-4(6)3-5(2)7;;;;;;;;;/h2*1-9,11-13H;3-7,9-12H,1-2H3;2-6,8-11H,1H3;2*1-7,9-11H;2-7,9-11H,1H3;1-4,6-8H;3*1-6,8-9H;2*3,6H,1-2H3;;;;;;;;;/q3*-1;-2;2*-1;-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);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;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);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 4250.82 g/mol, XLogP of 41.28, 13 rotatable bonds, 2 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;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(4-hydroxypent-3-en-2-one);octakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 158894212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).