4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium)

C108H109Ir3N10O10S-3 — CID 157158395

IUPAC4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium)
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2ncnc3cc(-c4cocn4)ccc23)c2oc3cccc(C)c3c2c1.Cc1[c-]c(-c2ncnc3cc(-c4cscn4)ccc23)c2oc3cccc(C)c3c2c1.Cc1[c-]c(-c2ncnc3cc(-n4ccnc4)ccc23)c2oc3cccc(C)c3c2c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C25H17N4O.C25H16N3O2.C25H16N3OS.3C11H20O2.3Ir/c1-15-10-19-23-16(2)4-3-5-22(23)30-25(19)20(11-15)24-18-7-6-17(29-9-8-26-14-29)12-21(18)27-13-28-24;1-14-8-18-23-15(2)4-3-5-22(23)30-25(18)19(9-14)24-17-7-6-16(21-11-29-13-28-21)10-20(17)26-12-27-24;1-14-8-18-23-15(2)4-3-5-22(23)29-25(18)19(9-14)24-17-7-6-16(21-11-30-13-28-21)10-20(17)26-12-27-24;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h3-10,12-14H,1-2H3;2*3-8,10-13H,1-2H3;3*7,12H,1-6H3;;;/q3*-1;;;;;;
InChIKeyRZLZLQZDYFUYDC-UHFFFAOYSA-N
MW2315.84 g/mol
LogP28.07
Rot. Bonds9

About 4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium)

4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium) (PubChem CID 157158395) has the molecular formula C108H109Ir3N10O10S-3 and a molecular weight of 2315.84 g/mol. Its IUPAC name is 4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium).

Molecular Properties

Compound Name4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium)
PubChem CID157158395
Molecular FormulaC108H109Ir3N10O10S-3
Molecular Weight2315.84 g/mol
Exact Mass2316.70
IUPAC Name4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium)
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2ncnc3cc(-c4cocn4)ccc23)c2oc3cccc(C)c3c2c1.Cc1[c-]c(-c2ncnc3cc(-c4cscn4)ccc23)c2oc3cccc(C)c3c2c1.Cc1[c-]c(-c2ncnc3cc(-n4ccnc4)ccc23)c2oc3cccc(C)c3c2c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C25H17N4O.C25H16N3O2.C25H16N3OS.3C11H20O2.3Ir/c1-15-10-19-23-16(2)4-3-5-22(23)30-25(19)20(11-15)24-18-7-6-17(29-9-8-26-14-29)12-21(18)27-13-28-24;1-14-8-18-23-15(2)4-3-5-22(23)30-25(18)19(9-14)24-17-7-6-16(21-11-29-13-28-21)10-20(17)26-12-27-24;1-14-8-18-23-15(2)4-3-5-22(23)29-25(18)19(9-14)24-17-7-6-16(21-11-30-13-28-21)10-20(17)26-12-27-24;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h3-10,12-14H,1-2H3;2*3-8,10-13H,1-2H3;3*7,12H,1-6H3;;;/q3*-1;;;;;;
InChIKeyRZLZLQZDYFUYDC-UHFFFAOYSA-N
XLogP28.07
TPSA285.40 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002315.84
LogP ≤ 528.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

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'}

Analyze 4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium) with MolForge

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Related Compounds

4-(3H-dibenzofuran-3-id-4-yl)-7-naphthalen-1-ylquinazoline;4-(3H-dibenzofuran-3-id-4-yl)-7-pyridin-2-ylquinazoline;4-(3H-dibenzofuran-3-id-4-yl)-7-pyridin-3-ylquinazoline;4-(3H-dibenzofuran-3-id-4-yl)-7-pyridin-4-ylquinazoline;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium)
CID 157067996
N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline
CID 159023106
2,6-dimethyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium
CID 149496290
4-(3H-dibenzofuran-3-id-4-yl)-6-methylbenzo[h]quinazoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 162692390
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;8-fluoro-4-(8-fluoro-2,7-dimethyl-3H-dibenzofuran-3-id-4-yl)benzo[f]isoquinoline;iridium
CID 169033902
4,7-dimethyl-1-(2-methylbenzene-6-id-1-yl)isoquinoline;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 58892506
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;6-(4,5,7-trimethyl-1H-naphthalen-1-id-2-yl)-[1]benzofuro[2,3-c]quinoline
CID 167354560
4,8-bis(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;4-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-3,5-dimethylbenzonitrile;4,7-diphenyl-1,10-phenanthroline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 158017939
CID 164814859
CID 164814859
bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum;2-(7-pyridin-2-yl-2,8-dihydrodibenzofuran-2,8-diid-3-yl)pyridine
CID 177296376
1-(3H-dibenzofuran-3-id-4-yl)-5-methylnaphtho[1,2-h]quinazoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162693360
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;4-(3-methyl-5-phenylbenzene-2-id-1-yl)benzo[f]isoquinoline
CID 168745112

Frequently Asked Questions

What is the IUPAC name of 4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium)?
The IUPAC name of 4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium) (CID 157158395) is 4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium).
What is the SMILES notation for 4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium)?
The canonical SMILES for 4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium) is CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2ncnc3cc(-c4cocn4)ccc23)c2oc3cccc(C)c3c2c1.Cc1[c-]c(-c2ncnc3cc(-c4cscn4)ccc23)c2oc3cccc(C)c3c2c1.Cc1[c-]c(-c2ncnc3cc(-n4ccnc4)ccc23)c2oc3cccc(C)c3c2c1.[Ir].[Ir].[Ir].
What is the InChIKey of 4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium)?
The InChIKey is RZLZLQZDYFUYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N4O.C25H16N3O2.C25H16N3OS.3C11H20O2.3Ir/c1-15-10-19-23-16(2)4-3-5-22(23)30-25(19)20(11-15)24-18-7-6-17(29-9-8-26-14-29)12-21(18)27-13-28-24;1-14-8-18-23-15(2)4-3-5-22(23)30-25(18)19(9-14)24-17-7-6-16(21-11-29-13-28-21)10-20(17)26-12-27-24;1-14-8-18-23-15(2)4-3-5-22(23)29-25(18)19(9-14)24-17-7-6-16(21-11-30-13-28-21)10-20(17)26-12-27-24;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h3-10,12-14H,1-2H3;2*3-8,10-13H,1-2H3;3*7,12H,1-6H3;;;/q3*-1;;;;;;.
What are the key properties of 4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium)?
4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium) has a molecular weight of 2315.84 g/mol, XLogP of 28.07, 9 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)-7-imidazol-1-ylquinazoline;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-oxazole;4-[4-(2,9-dimethyl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]-1,3-thiazole;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium) is sourced from PubChem (CID 157158395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).