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)

C165H216Ir4N8O8Si-4 — CID 163943378

IUPACtetrakis(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)
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.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2cc(-c4ccccc4)ccc23)cc(C)c1.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2ccc(C)cc23)cc(C)c1.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2cccc(C(C)C)c23)cc(C)c1.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2cccc([Si](C)(C)C)c23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C29H25N2.C26H29N2Si.C26H27N2.C24H23N2.4C15H28O2.4Ir/c1-18(2)29-30-27(24-15-19(3)14-20(4)16-24)26-13-11-23-17-22(21-8-6-5-7-9-21)10-12-25(23)28(26)31-29;1-16(2)26-27-24(20-14-17(3)13-18(4)15-20)21-12-11-19-9-8-10-22(29(5,6)7)23(19)25(21)28-26;1-15(2)21-9-7-8-19-10-11-22-24(20-13-17(5)12-18(6)14-20)27-26(16(3)4)28-25(22)23(19)21;1-14(2)24-25-22(19-11-16(4)10-17(5)12-19)20-9-8-18-7-6-15(3)13-21(18)23(20)26-24;4*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;;;;/h5-15,17-18H,1-4H3;8-14,16H,1-7H3;7-13,15-16H,1-6H3;6-11,13-14H,1-5H3;4*11,16H,7-10H2,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyTYMUQQYIPJIZCG-UHFFFAOYSA-N
MW3236.54 g/mol
LogP46.20
Rot. Bonds39

About 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)

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) (PubChem CID 163943378) has the molecular formula C165H216Ir4N8O8Si-4 and a molecular weight of 3236.54 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Nametetrakis(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)
PubChem CID163943378
Molecular FormulaC165H216Ir4N8O8Si-4
Molecular Weight3236.54 g/mol
Exact Mass3237.50
IUPAC Nametetrakis(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)
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.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2cc(-c4ccccc4)ccc23)cc(C)c1.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2ccc(C)cc23)cc(C)c1.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2cccc(C(C)C)c23)cc(C)c1.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2cccc([Si](C)(C)C)c23)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C29H25N2.C26H29N2Si.C26H27N2.C24H23N2.4C15H28O2.4Ir/c1-18(2)29-30-27(24-15-19(3)14-20(4)16-24)26-13-11-23-17-22(21-8-6-5-7-9-21)10-12-25(23)28(26)31-29;1-16(2)26-27-24(20-14-17(3)13-18(4)15-20)21-12-11-19-9-8-10-22(29(5,6)7)23(19)25(21)28-26;1-15(2)21-9-7-8-19-10-11-22-24(20-13-17(5)12-18(6)14-20)27-26(16(3)4)28-25(22)23(19)21;1-14(2)24-25-22(19-11-16(4)10-17(5)12-19)20-9-8-18-7-6-15(3)13-21(18)23(20)26-24;4*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;;;;/h5-15,17-18H,1-4H3;8-14,16H,1-7H3;7-13,15-16H,1-6H3;6-11,13-14H,1-5H3;4*11,16H,7-10H2,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyTYMUQQYIPJIZCG-UHFFFAOYSA-N
XLogP46.20
TPSA252.32 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds39
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003236.54
LogP ≤ 546.20
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 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) with MolForge

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Related Compounds

(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-(3,5-dimethylbenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylsilane;iridium
CID 162692560
8-tert-butyl-4-(3,5-dimethylbenzene-6-id-1-yl)-10-methyl-2-propan-2-ylbenzo[h]quinazoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 162693203
(Z)-3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;iridium;9-methyl-4-phenyl-2-propan-2-ylbenzo[h]quinazoline
CID 162693019
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
(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-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-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline
CID 163761681
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
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;4-(1-methyl-3H-dibenzofuran-3-id-4-yl)-8-phenyl-2-propan-2-ylbenzo[h]quinazoline
CID 162692852
[4-(7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-propan-2-ylbenzo[h]quinazolin-10-yl]-trimethylsilane;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 162693080
8-tert-butyl-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 162692636
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

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) 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.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2cc(-c4ccccc4)ccc23)cc(C)c1.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2ccc(C)cc23)cc(C)c1.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2cccc(C(C)C)c23)cc(C)c1.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2cccc([Si](C)(C)C)c23)cc(C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 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)?
The InChIKey is TYMUQQYIPJIZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N2.C26H29N2Si.C26H27N2.C24H23N2.4C15H28O2.4Ir/c1-18(2)29-30-27(24-15-19(3)14-20(4)16-24)26-13-11-23-17-22(21-8-6-5-7-9-21)10-12-25(23)28(26)31-29;1-16(2)26-27-24(20-14-17(3)13-18(4)15-20)21-12-11-19-9-8-10-22(29(5,6)7)23(19)25(21)28-26;1-15(2)21-9-7-8-19-10-11-22-24(20-13-17(5)12-18(6)14-20)27-26(16(3)4)28-25(22)23(19)21;1-14(2)24-25-22(19-11-16(4)10-17(5)12-19)20-9-8-18-7-6-15(3)13-21(18)23(20)26-24;4*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;;;;/h5-15,17-18H,1-4H3;8-14,16H,1-7H3;7-13,15-16H,1-6H3;6-11,13-14H,1-5H3;4*11,16H,7-10H2,1-6H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 3236.54 g/mol, XLogP of 46.20, 39 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 163943378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).