iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane

C38H32IrN2OSi-2 — CID 166577541

IUPACiridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
SMILESCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[c-]1cc(-c2ccccc2)c2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C23H14NO.C15H18NSi.Ir/c1-2-8-16(9-3-1)17-13-14-18(20-11-6-7-15-24-20)23-22(17)19-10-4-5-12-21(19)25-23;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;/h1-13,15H;5-8,10-11H,1-4H3;/q2*-1;
InChIKeyKMTNQUNOWCALAZ-UHFFFAOYSA-N
MW752.99 g/mol
LogP9.52
Rot. Bonds4

About iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane

iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane (PubChem CID 166577541) has the molecular formula C38H32IrN2OSi-2 and a molecular weight of 752.99 g/mol. Its IUPAC name is iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Nameiridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
PubChem CID166577541
Molecular FormulaC38H32IrN2OSi-2
Molecular Weight752.99 g/mol
Exact Mass753.19
IUPAC Nameiridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
SMILESCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[c-]1cc(-c2ccccc2)c2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C23H14NO.C15H18NSi.Ir/c1-2-8-16(9-3-1)17-13-14-18(20-11-6-7-15-24-20)23-22(17)19-10-4-5-12-21(19)25-23;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;/h1-13,15H;5-8,10-11H,1-4H3;/q2*-1;
InChIKeyKMTNQUNOWCALAZ-UHFFFAOYSA-N
XLogP9.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.99
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

iridium;4-phenyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166576193
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 171435976
iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166577515
iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574508
iridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane
CID 162707828
2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500159
4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium
CID 164796971
2-(1-benzyl-3H-dibenzofuran-3-id-4-yl)-4-methyl-5-phenylpyridine;iridium;5-methyl-2-phenylpyridine
CID 162707837
[4-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;4-methyl-2-phenylpyridine
CID 164796899
iridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 169039318
4-(cyclohexylmethyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578804

Frequently Asked Questions

What is the IUPAC name of iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?
The IUPAC name of iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane (CID 166577541) is iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?
The canonical SMILES for iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane is Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[c-]1cc(-c2ccccc2)c2c(oc3ccccc32)c1-c1ccccn1.
What is the InChIKey of iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?
The InChIKey is KMTNQUNOWCALAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14NO.C15H18NSi.Ir/c1-2-8-16(9-3-1)17-13-14-18(20-11-6-7-15-24-20)23-22(17)19-10-4-5-12-21(19)25-23;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;/h1-13,15H;5-8,10-11H,1-4H3;/q2*-1;.
What are the key properties of iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?
iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane has a molecular weight of 752.99 g/mol, XLogP of 9.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 166577541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).