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

C63H71IrN3OSi — CID 169038639

IUPAC4-(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
SMILESCC(C)(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1ccnc(-c2ccccc2)c1.CC(C)C(C)c1ccnc(-c2ccc(-c3ccccc3)c3c2oc2ccccc23)c1.[Ir]
InChIInChI=1S/C28H25NO.C19H27NSi.C16H19N.Ir/c1-18(2)19(3)21-15-16-29-25(17-21)23-14-13-22(20-9-5-4-6-10-20)27-24-11-7-8-12-26(24)30-28(23)27;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-16(2,3)12-13-9-10-17-15(11-13)14-7-5-4-6-8-14;/h4-19H,1-3H3;7-12,14H,13H2,1-6H3;4-11H,12H2,1-3H3;
InChIKeyUMZQETMZYPGHMT-UHFFFAOYSA-N
MW1106.58 g/mol
LogP17.29
Rot. Bonds9

About 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

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 (PubChem CID 169038639) has the molecular formula C63H71IrN3OSi and a molecular weight of 1106.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID169038639
Molecular FormulaC63H71IrN3OSi
Molecular Weight1106.58 g/mol
Exact Mass1106.50
IUPAC Name4-(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
SMILESCC(C)(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1ccnc(-c2ccccc2)c1.CC(C)C(C)c1ccnc(-c2ccc(-c3ccccc3)c3c2oc2ccccc23)c1.[Ir]
InChIInChI=1S/C28H25NO.C19H27NSi.C16H19N.Ir/c1-18(2)19(3)21-15-16-29-25(17-21)23-14-13-22(20-9-5-4-6-10-20)27-24-11-7-8-12-26(24)30-28(23)27;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-16(2,3)12-13-9-10-17-15(11-13)14-7-5-4-6-8-14;/h4-19H,1-3H3;7-12,14H,13H2,1-6H3;4-11H,12H2,1-3H3;
InChIKeyUMZQETMZYPGHMT-UHFFFAOYSA-N
XLogP17.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001106.58
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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)-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-(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-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-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039273
4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039063
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
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-pentan-3-yl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 166578774
4-(cyclohexylmethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-4-yl]pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039109

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1ccnc(-c2ccccc2)c1.CC(C)C(C)c1ccnc(-c2ccc(-c3ccccc3)c3c2oc2ccccc23)c1.[Ir].
What is the InChIKey of 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?
The InChIKey is UMZQETMZYPGHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO.C19H27NSi.C16H19N.Ir/c1-18(2)19(3)21-15-16-29-25(17-21)23-14-13-22(20-9-5-4-6-10-20)27-24-11-7-8-12-26(24)30-28(23)27;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-16(2,3)12-13-9-10-17-15(11-13)14-7-5-4-6-8-14;/h4-19H,1-3H3;7-12,14H,13H2,1-6H3;4-11H,12H2,1-3H3;.
What are the key properties of 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?
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 has a molecular weight of 1106.58 g/mol, XLogP of 17.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169038639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).