iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane

C20H18IrNOSi- — CID 155619291

IUPACiridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane
SMILESC[Si](C)(C)c1nc(-c2[c-]cccc2)cc2oc3ccccc3c12.[Ir]
InChIInChI=1S/C20H18NOSi.Ir/c1-23(2,3)20-19-15-11-7-8-12-17(15)22-18(19)13-16(21-20)14-9-5-4-6-10-14;/h4-9,11-13H,1-3H3;/q-1;
InChIKeyWFDMZZUNPAEKJK-UHFFFAOYSA-N
MW508.67 g/mol
LogP4.99
Rot. Bonds2

About iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane

iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane (PubChem CID 155619291) has the molecular formula C20H18IrNOSi- and a molecular weight of 508.67 g/mol. Its IUPAC name is iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane.

Molecular Properties

Compound Nameiridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane
PubChem CID155619291
Molecular FormulaC20H18IrNOSi-
Molecular Weight508.67 g/mol
Exact Mass509.08
IUPAC Nameiridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane
SMILESC[Si](C)(C)c1nc(-c2[c-]cccc2)cc2oc3ccccc3c12.[Ir]
InChIInChI=1S/C20H18NOSi.Ir/c1-23(2,3)20-19-15-11-7-8-12-17(15)22-18(19)13-16(21-20)14-9-5-4-6-10-14;/h4-9,11-13H,1-3H3;/q-1;
InChIKeyWFDMZZUNPAEKJK-UHFFFAOYSA-N
XLogP4.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.67
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-2-phenylpyridine;iridium;2-phenylpyridine
CID 164802889
iridium;5-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylbenzene-6-id-1-yl)pyridine;5-methyl-2-phenylpyridine
CID 172506670
[2-([1]benzofuro[3,2-c]pyridin-3-yl)benzene-3-id-1-yl]-trimethylsilane;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 155619239
iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 59622068
iridium;2-phenylpyridine;2,3,4,5-tetradeuterio-6-(2H-dibenzofuran-2-id-1-yl)pyridine
CID 154588154
4,5-dimethyl-2-(4-naphtho[2,1-b][1]benzofuran-4-ylbenzene-6-id-1-yl)pyridine;iridium;2-phenylpyridine
CID 172506775
4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium
CID 164796971
2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzothiazole;iridium;2-phenylpyridine
CID 176584077
4-(5,19-dimethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-2-yl)-2-phenylpyridine;iridium
CID 164802657
1-(2H-dibenzofuran-2-id-3-yl)-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]isoquinoline;iridium;2-phenylpyridine
CID 140789975
1-chloro-3-phenylisoquinoline;tungsten
CID 59216563
iridium;5-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylbenzene-6-id-1-yl)pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 172506804

Frequently Asked Questions

What is the IUPAC name of iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane?
The IUPAC name of iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane (CID 155619291) is iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane.
What is the SMILES notation for iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane?
The canonical SMILES for iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane is C[Si](C)(C)c1nc(-c2[c-]cccc2)cc2oc3ccccc3c12.[Ir].
What is the InChIKey of iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane?
The InChIKey is WFDMZZUNPAEKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NOSi.Ir/c1-23(2,3)20-19-15-11-7-8-12-17(15)22-18(19)13-16(21-20)14-9-5-4-6-10-14;/h4-9,11-13H,1-3H3;/q-1;.
What are the key properties of iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane?
iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane has a molecular weight of 508.67 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-1-yl)silane is sourced from PubChem (CID 155619291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).