bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium)

C134H156Ir4N8O8Si-4 — CID 163862162

IUPACbis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium)
SMILESCC(=O)C=C(C)O.CCC(C)(C)C(O)=CC(=O)C(C)(C)C.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCc1nc(-c2[c-]cc([Si](C)(C)C)cc2)c2ccc3c4ccccc4cc(C)c3c2n1.Cc1[c-]c(-c2ncnc3c2ccc2cccc(C(C)C)c23)cc(C)c1.Cc1[c-]c(-c2ncnc3c2ccc2ccccc23)cc(C)c1.Cc1[c-]c(-c2ncnc3c2ccc2ccccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C28H27N2Si.C23H21N2.2C20H15N2.2C13H24O2.C12H22O2.C5H8O2.4Ir/c1-6-25-29-27(19-11-13-21(14-12-19)31(3,4)5)24-16-15-23-22-10-8-7-9-20(22)17-18(2)26(23)28(24)30-25;1-14(2)19-7-5-6-17-8-9-20-22(24-13-25-23(20)21(17)19)18-11-15(3)10-16(4)12-18;2*1-13-9-14(2)11-16(10-13)19-18-8-7-15-5-3-4-6-17(15)20(18)22-12-21-19;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-7-12(5,6)10(14)8-9(13)11(2,3)4;1-4(6)3-5(2)7;;;;/h7-11,13-17H,6H2,1-5H3;5-11,13-14H,1-4H3;2*3-10,12H,1-2H3;2*9-11,14H,5-8H2,1-4H3;8,14H,7H2,1-6H3;3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyBRMQRUYBTPULCZ-UHFFFAOYSA-N
MW2803.72 g/mol
LogP34.79
Rot. Bonds25

About bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium)

bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium) (PubChem CID 163862162) has the molecular formula C134H156Ir4N8O8Si-4 and a molecular weight of 2803.72 g/mol. Its IUPAC name is bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium).

Molecular Properties

Compound Namebis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium)
PubChem CID163862162
Molecular FormulaC134H156Ir4N8O8Si-4
Molecular Weight2803.72 g/mol
Exact Mass2805.04
IUPAC Namebis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium)
SMILESCC(=O)C=C(C)O.CCC(C)(C)C(O)=CC(=O)C(C)(C)C.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCc1nc(-c2[c-]cc([Si](C)(C)C)cc2)c2ccc3c4ccccc4cc(C)c3c2n1.Cc1[c-]c(-c2ncnc3c2ccc2cccc(C(C)C)c23)cc(C)c1.Cc1[c-]c(-c2ncnc3c2ccc2ccccc23)cc(C)c1.Cc1[c-]c(-c2ncnc3c2ccc2ccccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C28H27N2Si.C23H21N2.2C20H15N2.2C13H24O2.C12H22O2.C5H8O2.4Ir/c1-6-25-29-27(19-11-13-21(14-12-19)31(3,4)5)24-16-15-23-22-10-8-7-9-20(22)17-18(2)26(23)28(24)30-25;1-14(2)19-7-5-6-17-8-9-20-22(24-13-25-23(20)21(17)19)18-11-15(3)10-16(4)12-18;2*1-13-9-14(2)11-16(10-13)19-18-8-7-15-5-3-4-6-17(15)20(18)22-12-21-19;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-7-12(5,6)10(14)8-9(13)11(2,3)4;1-4(6)3-5(2)7;;;;/h7-11,13-17H,6H2,1-5H3;5-11,13-14H,1-4H3;2*3-10,12H,1-2H3;2*9-11,14H,5-8H2,1-4H3;8,14H,7H2,1-6H3;3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyBRMQRUYBTPULCZ-UHFFFAOYSA-N
XLogP34.79
TPSA252.32 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002803.72
LogP ≤ 534.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium) with MolForge

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Related Compounds

4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)
CID 163654486
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;4-(3,5-dimethylbenzene-6-id-1-yl)-2,10-di(propan-2-yl)benzo[h]quinazoline;iridium
CID 162692976
4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162692446
4-(3,5-dimethylbenzene-6-id-1-yl)-10-methyl-8-(2-methylpropyl)benzo[h]quinazoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162692902
4-(3,5-dimethylbenzene-6-id-1-yl)-10-methyl-2-propan-2-ylbenzo[h]quinazoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162692664
[4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylbenzo[h]quinazolin-10-yl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162693189
4-(3,5-dimethylbenzene-6-id-1-yl)-6-methylbenzo[h]quinazoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162693317
tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-2,10-di(propan-2-yl)benzo[h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8-phenyl-2-propan-2-ylbenzo[h]quinazoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylbenzo[h]quinazolin-10-yl]-trimethylsilane;tetrakis(iridium)
CID 163943378
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;bis([1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane);iridium
CID 155638334
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-dimethyl-propan-2-ylsilane;[1-(3,5-dimethylbenzene-6-id-1-yl)isoquinolin-6-yl]-trimethylsilane;iridium
CID 155637942
4-(3,5-dimethylbenzene-6-id-1-yl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162693297
3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(1-(3,5-dimethylbenzene-6-id-1-yl)-9-fluoro-6-phenylbenzo[h]isoquinoline);bis(1-(3,5-dimethylbenzene-6-id-1-yl)-6-phenyl-8-(trifluoromethyl)benzo[h]isoquinoline);bis(4-hydroxypent-3-en-2-one);pentakis(iridium)
CID 162202825

Frequently Asked Questions

What is the IUPAC name of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium)?
The IUPAC name of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium) (CID 163862162) is bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium).
What is the SMILES notation for bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium)?
The canonical SMILES for bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium) is CC(=O)C=C(C)O.CCC(C)(C)C(O)=CC(=O)C(C)(C)C.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCc1nc(-c2[c-]cc([Si](C)(C)C)cc2)c2ccc3c4ccccc4cc(C)c3c2n1.Cc1[c-]c(-c2ncnc3c2ccc2cccc(C(C)C)c23)cc(C)c1.Cc1[c-]c(-c2ncnc3c2ccc2ccccc23)cc(C)c1.Cc1[c-]c(-c2ncnc3c2ccc2ccccc23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium)?
The InChIKey is BRMQRUYBTPULCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N2Si.C23H21N2.2C20H15N2.2C13H24O2.C12H22O2.C5H8O2.4Ir/c1-6-25-29-27(19-11-13-21(14-12-19)31(3,4)5)24-16-15-23-22-10-8-7-9-20(22)17-18(2)26(23)28(24)30-25;1-14(2)19-7-5-6-17-8-9-20-22(24-13-25-23(20)21(17)19)18-11-15(3)10-16(4)12-18;2*1-13-9-14(2)11-16(10-13)19-18-8-7-15-5-3-4-6-17(15)20(18)22-12-21-19;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-7-12(5,6)10(14)8-9(13)11(2,3)4;1-4(6)3-5(2)7;;;;/h7-11,13-17H,6H2,1-5H3;5-11,13-14H,1-4H3;2*3-10,12H,1-2H3;2*9-11,14H,5-8H2,1-4H3;8,14H,7H2,1-6H3;3,6H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium)?
bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium) has a molecular weight of 2803.72 g/mol, XLogP of 34.79, 25 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[h]quinazoline);4-(3,5-dimethylbenzene-6-id-1-yl)-10-propan-2-ylbenzo[h]quinazoline;[4-(3-ethyl-5-methylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethyloct-4-en-3-one;tetrakis(iridium) is sourced from PubChem (CID 163862162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).