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)

C149H139Ir4N11O12-4 — CID 157067996

IUPAC4-(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)
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.CC(C)(C)C(=O)C=C(O)C(C)(C)C.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ncnc2cc(-c3cccc4ccccc34)ccc12.[c-]1ccc2c(oc3ccccc32)c1-c1ncnc2cc(-c3ccccn3)ccc12.[c-]1ccc2c(oc3ccccc32)c1-c1ncnc2cc(-c3cccnc3)ccc12.[c-]1ccc2c(oc3ccccc32)c1-c1ncnc2cc(-c3ccncc3)ccc12
InChIInChI=1S/C30H17N2O.3C25H14N3O.4C11H20O2.4Ir/c1-2-9-21-19(7-1)8-5-11-22(21)20-15-16-25-27(17-20)31-18-32-29(25)26-13-6-12-24-23-10-3-4-14-28(23)33-30(24)26;1-2-9-23-18(6-1)19-7-3-8-21(25(19)29-23)24-20-11-10-16(13-22(20)27-15-28-24)17-5-4-12-26-14-17;1-2-10-23-17(6-1)18-7-5-8-20(25(18)29-23)24-19-12-11-16(14-22(19)27-15-28-24)21-9-3-4-13-26-21;1-2-7-23-18(4-1)19-5-3-6-21(25(19)29-23)24-20-9-8-17(14-22(20)27-15-28-24)16-10-12-26-13-11-16;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h1-12,14-18H;2*1-7,9-15H;1-5,7-15H;4*7,12H,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyNYPROIULOHWHLW-UHFFFAOYSA-N
MW3044.68 g/mol
LogP38.34
Rot. Bonds12

About 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)

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) (PubChem CID 157067996) has the molecular formula C149H139Ir4N11O12-4 and a molecular weight of 3044.68 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name4-(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)
PubChem CID157067996
Molecular FormulaC149H139Ir4N11O12-4
Molecular Weight3044.68 g/mol
Exact Mass3045.91
IUPAC Name4-(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)
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.CC(C)(C)C(=O)C=C(O)C(C)(C)C.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ncnc2cc(-c3cccc4ccccc34)ccc12.[c-]1ccc2c(oc3ccccc32)c1-c1ncnc2cc(-c3ccccn3)ccc12.[c-]1ccc2c(oc3ccccc32)c1-c1ncnc2cc(-c3cccnc3)ccc12.[c-]1ccc2c(oc3ccccc32)c1-c1ncnc2cc(-c3ccncc3)ccc12
InChIInChI=1S/C30H17N2O.3C25H14N3O.4C11H20O2.4Ir/c1-2-9-21-19(7-1)8-5-11-22(21)20-15-16-25-27(17-20)31-18-32-29(25)26-13-6-12-24-23-10-3-4-14-28(23)33-30(24)26;1-2-9-23-18(6-1)19-7-3-8-21(25(19)29-23)24-20-11-10-16(13-22(20)27-15-28-24)17-5-4-12-26-14-17;1-2-10-23-17(6-1)18-7-5-8-20(25(18)29-23)24-19-12-11-16(14-22(19)27-15-28-24)21-9-3-4-13-26-21;1-2-7-23-18(4-1)19-5-3-6-21(25(19)29-23)24-20-9-8-17(14-22(20)27-15-28-24)16-10-12-26-13-11-16;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h1-12,14-18H;2*1-7,9-15H;1-5,7-15H;4*7,12H,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyNYPROIULOHWHLW-UHFFFAOYSA-N
XLogP38.34
TPSA343.55 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003044.68
LogP ≤ 538.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

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-(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) with MolForge

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Related Compounds

4-(3H-dibenzofuran-3-id-4-yl)-7-(2-methylpropyl)quinazoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;iridium
CID 157364437
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
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171584057
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium
CID 171576776
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
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 158843888
4-(3H-dibenzofuran-3-id-4-yl)-10-(2-methylpropyl)benzo[h]quinazoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 162693290
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine
CID 158686254
4-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-phenyl-4-[4-[5-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-pyridin-2-ylpyrimidine;2-phenyl-4-[4-[5-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-pyridin-3-ylpyrimidine;2-phenyl-4-[4-[5-[4-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-pyridin-4-ylpyrimidine
CID 158234188
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;2,8,10-trimethyl-4-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[h]quinazoline
CID 162693371
4-(3H-dibenzofuran-3-id-4-yl)-8,10-di(propan-2-yl)benzo[h]quinazoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 162692769

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) 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.CC(C)(C)C(=O)C=C(O)C(C)(C)C.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ncnc2cc(-c3cccc4ccccc34)ccc12.[c-]1ccc2c(oc3ccccc32)c1-c1ncnc2cc(-c3ccccn3)ccc12.[c-]1ccc2c(oc3ccccc32)c1-c1ncnc2cc(-c3cccnc3)ccc12.[c-]1ccc2c(oc3ccccc32)c1-c1ncnc2cc(-c3ccncc3)ccc12.
What is the InChIKey of 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)?
The InChIKey is NYPROIULOHWHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17N2O.3C25H14N3O.4C11H20O2.4Ir/c1-2-9-21-19(7-1)8-5-11-22(21)20-15-16-25-27(17-20)31-18-32-29(25)26-13-6-12-24-23-10-3-4-14-28(23)33-30(24)26;1-2-9-23-18(6-1)19-7-3-8-21(25(19)29-23)24-20-11-10-16(13-22(20)27-15-28-24)17-5-4-12-26-14-17;1-2-10-23-17(6-1)18-7-5-8-20(25(18)29-23)24-19-12-11-16(14-22(19)27-15-28-24)21-9-3-4-13-26-21;1-2-7-23-18(4-1)19-5-3-6-21(25(19)29-23)24-20-9-8-17(14-22(20)27-15-28-24)16-10-12-26-13-11-16;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h1-12,14-18H;2*1-7,9-15H;1-5,7-15H;4*7,12H,1-6H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 3044.68 g/mol, XLogP of 38.34, 12 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 157067996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).