4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium

C35H34IrN2OSi-2 — CID 164796971

IUPAC4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium
SMILESCc1ccnc(-c2[c-]cc([Si](C)(C)C)c3c2oc2ccccc23)c1C.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir]
InChIInChI=1S/C22H22NOSi.C13H12N.Ir/c1-14-12-13-23-21(15(14)2)17-10-11-19(25(3,4)5)20-16-8-6-7-9-18(16)24-22(17)20;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;/h6-9,11-13H,1-5H3;3-6,8-9H,1-2H3;/q2*-1;
InChIKeyKUPMFCOLGHGIBD-UHFFFAOYSA-N
MW718.97 g/mol
LogP8.77
Rot. Bonds3

About 4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium

4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium (PubChem CID 164796971) has the molecular formula C35H34IrN2OSi-2 and a molecular weight of 718.97 g/mol. Its IUPAC name is 4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium.

Molecular Properties

Compound Name4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium
PubChem CID164796971
Molecular FormulaC35H34IrN2OSi-2
Molecular Weight718.97 g/mol
Exact Mass719.21
IUPAC Name4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium
SMILESCc1ccnc(-c2[c-]cc([Si](C)(C)C)c3c2oc2ccccc23)c1C.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir]
InChIInChI=1S/C22H22NOSi.C13H12N.Ir/c1-14-12-13-23-21(15(14)2)17-10-11-19(25(3,4)5)20-16-8-6-7-9-18(16)24-22(17)20;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;/h6-9,11-13H,1-5H3;3-6,8-9H,1-2H3;/q2*-1;
InChIKeyKUPMFCOLGHGIBD-UHFFFAOYSA-N
XLogP8.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.97
LogP ≤ 58.77
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

[4-(4-tert-butyl-3-methyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine
CID 164797037
iridium;4-methyl-2-phenylpyridine;trimethyl-[4-[3-methyl-4-(3-methylpentan-3-yl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796811
iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[3-methyl-4-(2-methylpentan-3-yl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796844
[4-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;4-methyl-2-phenylpyridine
CID 164796899
iridium;4-methyl-2-phenylpyridine;trimethyl-[4-[3-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796801
iridium;4-methyl-2-phenylpyridine;trimethyl-[4-[4-methyl-5-(2-methylpentan-3-yl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796884
iridium;4-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-(2-methylpentan-3-yl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796771
iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166577541
[3-tert-butyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylsilane;4,5-dimethyl-2-phenylpyridine;iridium
CID 164796904
4,5-dimethyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-2-phenylpyridine;iridium
CID 164802710
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane
CID 164797050
iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796923

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium?
The IUPAC name of 4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium (CID 164796971) is 4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium.
What is the SMILES notation for 4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium?
The canonical SMILES for 4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium is Cc1ccnc(-c2[c-]cc([Si](C)(C)C)c3c2oc2ccccc23)c1C.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir].
What is the InChIKey of 4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium?
The InChIKey is KUPMFCOLGHGIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NOSi.C13H12N.Ir/c1-14-12-13-23-21(15(14)2)17-10-11-19(25(3,4)5)20-16-8-6-7-9-18(16)24-22(17)20;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;/h6-9,11-13H,1-5H3;3-6,8-9H,1-2H3;/q2*-1;.
What are the key properties of 4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium?
4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium has a molecular weight of 718.97 g/mol, XLogP of 8.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium is sourced from PubChem (CID 164796971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).