1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

C87H67F5Ir5N12O3-8 — CID 159365466

About 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 159365466) has the molecular formula C87H67F5Ir5N12O3-8 and a molecular weight of 2384.65 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

• Compound Name: 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• PubChem CID: 159365466
• Molecular Formula: C87H67F5Ir5N12O3-8
• Molecular Weight: 2384.65 g/mol
• Exact Mass: 2387.36
• IUPAC Name: 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
• SMILES: 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)c1n[n-]c(-c2ccccn2)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2ccccc2cn1
• InChI: InChI=1S/C18H15N2.C16H12N2O.C15H10N.C14H12N2.C11H6F2N.C8H4F3N4.C5H8O2.5Ir/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;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-4(6)3-5(2)7;;;;;/h3-7,9-12H,1-2H3;2-6,8-11H,1H3;1-6,8-11H;2-7,9-11H,1H3;1-4,6-7H;1-4H;3,6H,1-2H3;;;;;/q-1;-2;-1;-2;2*-1
• InChIKey: HIQFPTMDIZIEPW-UHFFFAOYSA-N
• XLogP: 19.97
• TPSA: 159.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2384.65
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 159365466) is 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

What is the SMILES notation for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The canonical SMILES for 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is 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)c1n[n-]c(-c2ccccn2)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2ccccc2cn1.

What is the InChIKey of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

The InChIKey is HIQFPTMDIZIEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N2.C16H12N2O.C15H10N.C14H12N2.C11H6F2N.C8H4F3N4.C5H8O2.5Ir/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;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-4(6)3-5(2)7;;;;;/h3-7,9-12H,1-2H3;2-6,8-11H,1H3;1-6,8-11H;2-7,9-11H,1H3;1-4,6-7H;1-4H;3,6H,1-2H3;;;;;/q-1;-2;-1;-2;2*-1;;;;;;.

What are the key properties of 1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?

1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 2384.65 g/mol, XLogP of 19.97, 7 rotatable bonds, 1 hydrogen bond donors, and 14 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;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;3-phenylisoquinoline;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 159365466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).