2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C63H63IrN3OSi — CID 169038674

IUPAC2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CC(C)Cc1ccnc(-c2ccccc2)c1.Cc1ccnc(-c2cccc3c2oc2c(-c4ccccc4)ccc(-c4ccccc4)c23)c1.[Ir]
InChIInChI=1S/C30H21NO.C18H25NSi.C15H17N.Ir/c1-20-17-18-31-27(19-20)25-13-8-14-26-28-23(21-9-4-2-5-10-21)15-16-24(30(28)32-29(25)26)22-11-6-3-7-12-22;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-12(2)10-13-8-9-16-15(11-13)14-6-4-3-5-7-14;/h2-19H,1H3;6-10,12-14H,11H2,1-5H3;3-9,11-12H,10H2,1-2H3;
InChIKeyFBRXRJWQNSIOJY-UHFFFAOYSA-N
MW1098.52 g/mol
LogP16.73
Rot. Bonds10

About 2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 169038674) has the molecular formula C63H63IrN3OSi and a molecular weight of 1098.52 g/mol. Its IUPAC name is 2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

Compound Name2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
PubChem CID169038674
Molecular FormulaC63H63IrN3OSi
Molecular Weight1098.52 g/mol
Exact Mass1098.44
IUPAC Name2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CC(C)Cc1ccnc(-c2ccccc2)c1.Cc1ccnc(-c2cccc3c2oc2c(-c4ccccc4)ccc(-c4ccccc4)c23)c1.[Ir]
InChIInChI=1S/C30H21NO.C18H25NSi.C15H17N.Ir/c1-20-17-18-31-27(19-20)25-13-8-14-26-28-23(21-9-4-2-5-10-21)15-16-24(30(28)32-29(25)26)22-11-6-3-7-12-22;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-12(2)10-13-8-9-16-15(11-13)14-6-4-3-5-7-14;/h2-19H,1H3;6-10,12-14H,11H2,1-5H3;3-9,11-12H,10H2,1-2H3;
InChIKeyFBRXRJWQNSIOJY-UHFFFAOYSA-N
XLogP16.73
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001098.52
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

iridium;4-(2-methylpropyl)-2-phenylpyridine;2-(9-phenyldibenzofuran-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169039030
4-tert-butyl-2-(7,9-diphenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169039375
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169038715
4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 169038948
4-(2,2-dimethylpropyl)-5-methyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039106
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
4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 169038639
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039245
trimethyl-[4-(2-methylpropyl)-6-phenanthren-1-yl-3-pyridinyl]silane
CID 156657793
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039273
4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine
CID 169038906
iridium;4-pentan-3-yl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166577116

Frequently Asked Questions

What is the IUPAC name of 2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The IUPAC name of 2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 169038674) is 2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.
What is the SMILES notation for 2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The canonical SMILES for 2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CC(C)Cc1ccnc(-c2ccccc2)c1.Cc1ccnc(-c2cccc3c2oc2c(-c4ccccc4)ccc(-c4ccccc4)c23)c1.[Ir].
What is the InChIKey of 2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The InChIKey is FBRXRJWQNSIOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO.C18H25NSi.C15H17N.Ir/c1-20-17-18-31-27(19-20)25-13-8-14-26-28-23(21-9-4-2-5-10-21)15-16-24(30(28)32-29(25)26)22-11-6-3-7-12-22;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-12(2)10-13-8-9-16-15(11-13)14-6-4-3-5-7-14;/h2-19H,1H3;6-10,12-14H,11H2,1-5H3;3-9,11-12H,10H2,1-2H3;.
What are the key properties of 2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 1098.52 g/mol, XLogP of 16.73, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 169038674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).