4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium)

C171H194Ir4N8O12-4 — CID 163996194

IUPAC4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium)
SMILESCCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1nc(-c2[c-]ccc3c2oc2ccccc23)c2ccc3cc(C(C)C)cc(C(C)C)c3c2n1.Cc1nc(-c2[c-]ccc3c2oc2ccccc23)c2ccc3cccc(C)c3c2n1.Cc1nc(-c2[c-]ccc3c2oc2ccccc23)c2ccc3cccc(CC(C)C)c3c2n1.Cc1nc(-c2[c-]ccc3c2oc2ccccc23)c2ccc3ccccc3c2n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C31H27N2O.C29H23N2O.C26H17N2O.C25H15N2O.4C15H28O2.4Ir/c1-17(2)21-15-20-13-14-24-29(32-19(5)33-30(24)28(20)26(16-21)18(3)4)25-11-8-10-23-22-9-6-7-12-27(22)34-31(23)25;1-17(2)16-20-9-6-8-19-14-15-23-27(30-18(3)31-28(23)26(19)20)24-12-7-11-22-21-10-4-5-13-25(21)32-29(22)24;1-15-7-5-8-17-13-14-20-24(27-16(2)28-25(20)23(15)17)21-11-6-10-19-18-9-3-4-12-22(18)29-26(19)21;1-15-26-23-17-8-3-2-7-16(17)13-14-20(23)24(27-15)21-11-6-10-19-18-9-4-5-12-22(18)28-25(19)21;4*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;;;;/h6-10,12-18H,1-5H3;4-11,13-15,17H,16H2,1-3H3;3-10,12-14H,1-2H3;2-10,12-14H,1H3;4*11,16H,7-10H2,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyKJIHBLSASAJTFB-UHFFFAOYSA-N
MW3322.34 g/mol
LogP48.18
Rot. Bonds36

About 4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium)

4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium) (PubChem CID 163996194) has the molecular formula C171H194Ir4N8O12-4 and a molecular weight of 3322.34 g/mol. Its IUPAC name is 4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium).

Molecular Properties

Compound Name4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium)
PubChem CID163996194
Molecular FormulaC171H194Ir4N8O12-4
Molecular Weight3322.34 g/mol
Exact Mass3323.34
IUPAC Name4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium)
SMILESCCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1nc(-c2[c-]ccc3c2oc2ccccc23)c2ccc3cc(C(C)C)cc(C(C)C)c3c2n1.Cc1nc(-c2[c-]ccc3c2oc2ccccc23)c2ccc3cccc(C)c3c2n1.Cc1nc(-c2[c-]ccc3c2oc2ccccc23)c2ccc3cccc(CC(C)C)c3c2n1.Cc1nc(-c2[c-]ccc3c2oc2ccccc23)c2ccc3ccccc3c2n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C31H27N2O.C29H23N2O.C26H17N2O.C25H15N2O.4C15H28O2.4Ir/c1-17(2)21-15-20-13-14-24-29(32-19(5)33-30(24)28(20)26(16-21)18(3)4)25-11-8-10-23-22-9-6-7-12-27(22)34-31(23)25;1-17(2)16-20-9-6-8-19-14-15-23-27(30-18(3)31-28(23)26(19)20)24-12-7-11-22-21-10-4-5-13-25(21)32-29(22)24;1-15-7-5-8-17-13-14-20-24(27-16(2)28-25(20)23(15)17)21-11-6-10-19-18-9-3-4-12-22(18)29-26(19)21;1-15-26-23-17-8-3-2-7-16(17)13-14-20(23)24(27-15)21-11-6-10-19-18-9-4-5-12-22(18)28-25(19)21;4*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;;;;/h6-10,12-18H,1-5H3;4-11,13-15,17H,16H2,1-3H3;3-10,12-14H,1-2H3;2-10,12-14H,1H3;4*11,16H,7-10H2,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyKJIHBLSASAJTFB-UHFFFAOYSA-N
XLogP48.18
TPSA304.88 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003322.34
LogP ≤ 548.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium) with MolForge

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Related Compounds

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-(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
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;4-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-2,8,10-tri(propan-2-yl)benzo[h]quinazoline
CID 162692430
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;4-(1-methyl-3H-dibenzofuran-3-id-4-yl)-10-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
CID 162693392
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;8-[10-(2-methylpropyl)benzo[h]quinazolin-4-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 162692733
4-(3H-dibenzofuran-3-id-4-yl)-2,7,10-trimethylpyrido[3,4-h]quinazoline;(Z)-3-ethyl-6-hydroxy-3,7,7-trimethylnon-5-en-4-one;iridium
CID 162692388
8-tert-butyl-10-methyl-4-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)benzo[h]quinazoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 162692775
4-(4-tert-butylbenzene-6-id-1-yl)-10-methylbenzo[h]quinazoline;4-(4-cyclohexylbenzene-6-id-1-yl)-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);8,10-di(propan-2-yl)-4-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)benzo[h]quinazoline;tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[h]quinazoline
CID 163477740
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;iridium;2-methyl-8-(2-propan-2-ylbenzo[h]quinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 162692932
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;2-methyl-8,10-bis(2-methylpropyl)-4-phenylbenzo[h]quinazoline
CID 162693367
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;2-(2,6-dimethylphenyl)-8-(8,10-dimethyl-2-propan-2-ylbenzo[h]quinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 162693228

Frequently Asked Questions

What is the IUPAC name of 4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium)?
The IUPAC name of 4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium) (CID 163996194) is 4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium).
What is the SMILES notation for 4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium)?
The canonical SMILES for 4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium) is CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1nc(-c2[c-]ccc3c2oc2ccccc23)c2ccc3cc(C(C)C)cc(C(C)C)c3c2n1.Cc1nc(-c2[c-]ccc3c2oc2ccccc23)c2ccc3cccc(C)c3c2n1.Cc1nc(-c2[c-]ccc3c2oc2ccccc23)c2ccc3cccc(CC(C)C)c3c2n1.Cc1nc(-c2[c-]ccc3c2oc2ccccc23)c2ccc3ccccc3c2n1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium)?
The InChIKey is KJIHBLSASAJTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N2O.C29H23N2O.C26H17N2O.C25H15N2O.4C15H28O2.4Ir/c1-17(2)21-15-20-13-14-24-29(32-19(5)33-30(24)28(20)26(16-21)18(3)4)25-11-8-10-23-22-9-6-7-12-27(22)34-31(23)25;1-17(2)16-20-9-6-8-19-14-15-23-27(30-18(3)31-28(23)26(19)20)24-12-7-11-22-21-10-4-5-13-25(21)32-29(22)24;1-15-7-5-8-17-13-14-20-24(27-16(2)28-25(20)23(15)17)21-11-6-10-19-18-9-3-4-12-22(18)29-26(19)21;1-15-26-23-17-8-3-2-7-16(17)13-14-20(23)24(27-15)21-11-6-10-19-18-9-4-5-12-22(18)28-25(19)21;4*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;;;;/h6-10,12-18H,1-5H3;4-11,13-15,17H,16H2,1-3H3;3-10,12-14H,1-2H3;2-10,12-14H,1H3;4*11,16H,7-10H2,1-6H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium)?
4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium) has a molecular weight of 3322.34 g/mol, XLogP of 48.18, 36 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium) is sourced from PubChem (CID 163996194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).