[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium

C25H26IrNO3Si- — CID 161124870

IUPAC[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium
SMILESCC(=O)C=C(C)O.C[Si](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.[Ir]
InChIInChI=1S/C20H18NOSi.C5H8O2.Ir/c1-23(2,3)15-9-10-18(21-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)22-20;1-4(6)3-5(2)7;/h4-7,9-13H,1-3H3;3,6H,1-2H3;/q-1;;
InChIKeyQLIICZUALYHRQE-UHFFFAOYSA-N
MW608.79 g/mol
LogP6.03
Rot. Bonds3

About [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium

[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium (PubChem CID 161124870) has the molecular formula C25H26IrNO3Si- and a molecular weight of 608.79 g/mol. Its IUPAC name is [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium.

Molecular Properties

Compound Name[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium
PubChem CID161124870
Molecular FormulaC25H26IrNO3Si-
Molecular Weight608.79 g/mol
Exact Mass609.13
IUPAC Name[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium
SMILESCC(=O)C=C(C)O.C[Si](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.[Ir]
InChIInChI=1S/C20H18NOSi.C5H8O2.Ir/c1-23(2,3)15-9-10-18(21-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)22-20;1-4(6)3-5(2)7;/h4-7,9-13H,1-3H3;3,6H,1-2H3;/q-1;;
InChIKeyQLIICZUALYHRQE-UHFFFAOYSA-N
XLogP6.03
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.79
LogP ≤ 56.03
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(1,3-dimethyl-7H-[1]benzofuro[2,3-c]pyridin-7-id-6-yl)-3-pyridinyl]-trimethylsilane;dimethyl-[6-(7-methyl-3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-phenylsilane;tris(4-hydroxypent-3-en-2-one);tris(iridium)
CID 158963238
2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium
CID 58183919
[4-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-5-id-1-yl]-trimethylsilane;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 155619313
iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 169038570
iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578426
iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 164832475
tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane
CID 158064123
iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578482
4-tert-butyl-2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162710292
(6-dibenzofuran-2-yl-3-pyridinyl)-methyl-diphenylsilane
CID 140719613
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylfuro[2,3-c]pyridine
CID 153474938
5-(3H-dibenzofuran-3-id-4-yl)-2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626067

Frequently Asked Questions

What is the IUPAC name of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium?
The IUPAC name of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium (CID 161124870) is [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium.
What is the SMILES notation for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium?
The canonical SMILES for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium is CC(=O)C=C(C)O.C[Si](C)(C)c1ccc(-c2[c-]cc3oc4ccccc4c3c2)nc1.[Ir].
What is the InChIKey of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium?
The InChIKey is QLIICZUALYHRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NOSi.C5H8O2.Ir/c1-23(2,3)15-9-10-18(21-13-15)14-8-11-20-17(12-14)16-6-4-5-7-19(16)22-20;1-4(6)3-5(2)7;/h4-7,9-13H,1-3H3;3,6H,1-2H3;/q-1;;.
What are the key properties of [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium?
[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium has a molecular weight of 608.79 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium is sourced from PubChem (CID 161124870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).