(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane

C46H54GeIrNO3- — CID 156675926

IUPAC(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane
SMILESCCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.Cc1c[c-]c(-c2cc(-c3ccccc3)c3cc([Ge](C)(C)C)ccc3n2)c2oc3ccccc3c12.[Ir]
InChIInChI=1S/C31H26GeNO.C15H28O2.Ir/c1-20-14-16-23(31-30(20)24-12-8-9-13-29(24)34-31)28-19-25(21-10-6-5-7-11-21)26-18-22(32(2,3)4)15-17-27(26)33-28;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;/h5-15,17-19H,1-4H3;11,16H,7-10H2,1-6H3;/q-1;;/b;12-11-;
InChIKeyHELRGBWSCRIFQL-SWPBDETKSA-N
MW933.77 g/mol
LogP12.77
Rot. Bonds10

About (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane

(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane (PubChem CID 156675926) has the molecular formula C46H54GeIrNO3- and a molecular weight of 933.77 g/mol. Its IUPAC name is (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane.

Molecular Properties

Compound Name(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane
PubChem CID156675926
Molecular FormulaC46H54GeIrNO3-
Molecular Weight933.77 g/mol
Exact Mass935.30
IUPAC Name(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane
SMILESCCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.Cc1c[c-]c(-c2cc(-c3ccccc3)c3cc([Ge](C)(C)C)ccc3n2)c2oc3ccccc3c12.[Ir]
InChIInChI=1S/C31H26GeNO.C15H28O2.Ir/c1-20-14-16-23(31-30(20)24-12-8-9-13-29(24)34-31)28-19-25(21-10-6-5-7-11-21)26-18-22(32(2,3)4)15-17-27(26)33-28;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;/h5-15,17-19H,1-4H3;11,16H,7-10H2,1-6H3;/q-1;;/b;12-11-;
InChIKeyHELRGBWSCRIFQL-SWPBDETKSA-N
XLogP12.77
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.77
LogP ≤ 512.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane with MolForge

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Related Compounds

(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;8-methyl-4-(1-methyl-3H-dibenzofuran-3-id-4-yl)benzo[h]quinazoline
CID 162693266
(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
1,3-bis(1-adamantyl)-3-hydroxyprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]-trimethylgermane;1,3-dicyclohexyl-3-hydroxy-2-methylprop-2-en-1-one;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium);trimethyl-[2-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-phenylquinolin-6-yl]germane;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane;trimethyl-[4-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]germane;trimethyl-[4-phenyl-2-(3-propan-2-ylbenzene-6-id-1-yl)quinolin-6-yl]germane;trimethyl-[4-phenyl-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinolin-6-yl]germane;trimethyl-[4-phenyl-2-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)quinolin-6-yl]germane
CID 160775103
[2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinolin-6-yl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 156675645
(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;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-6-propan-2-ylquinoline;iridium
CID 168815003
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)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;4-methyl-2-(2,3,4-trimethylbenzene-6-id-1-yl)quinoline
CID 59348507
iridium(3+);tris(6-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine-3-carbonitrile)
CID 171576895
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[2-(3,5-dimethylbenzene-6-id-1-yl)-7-phenylquinolin-6-yl]-trimethylsilane;iridium
CID 156675960
13-(6-tert-butyl-2H-naphthalen-2-id-1-yl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 168816290
[2-(3H-dibenzothiophen-3-id-2-yl)-4-phenylquinolin-6-yl]-trimethylgermane;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156675885

Frequently Asked Questions

What is the IUPAC name of (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane?
The IUPAC name of (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane (CID 156675926) is (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane.
What is the SMILES notation for (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane?
The canonical SMILES for (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane is CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.Cc1c[c-]c(-c2cc(-c3ccccc3)c3cc([Ge](C)(C)C)ccc3n2)c2oc3ccccc3c12.[Ir].
What is the InChIKey of (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane?
The InChIKey is HELRGBWSCRIFQL-SWPBDETKSA-N. The full InChI is InChI=1S/C31H26GeNO.C15H28O2.Ir/c1-20-14-16-23(31-30(20)24-12-8-9-13-29(24)34-31)28-19-25(21-10-6-5-7-11-21)26-18-22(32(2,3)4)15-17-27(26)33-28;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;/h5-15,17-19H,1-4H3;11,16H,7-10H2,1-6H3;/q-1;;/b;12-11-;.
What are the key properties of (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane?
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane has a molecular weight of 933.77 g/mol, XLogP of 12.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;trimethyl-[2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylquinolin-6-yl]germane is sourced from PubChem (CID 156675926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).