4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine

C52H57N5 — CID 142512771

IUPAC4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine
SMILESCC.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C18H24N2.C8H11N.C2H6/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-7(2)8-5-3-4-6-9-8;1-2/h1-16H;7-12H,1-6H3;3-7H,1-2H3;1-2H3
InChIKeyFGIIQDXBNJQGLW-UHFFFAOYSA-N
MW752.06 g/mol
LogP14.09
Rot. Bonds4

About 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine

4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine (PubChem CID 142512771) has the molecular formula C52H57N5 and a molecular weight of 752.06 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine
PubChem CID142512771
Molecular FormulaC52H57N5
Molecular Weight752.06 g/mol
Exact Mass751.46
IUPAC Name4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine
SMILESCC.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C18H24N2.C8H11N.C2H6/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-7(2)8-5-3-4-6-9-8;1-2/h1-16H;7-12H,1-6H3;3-7H,1-2H3;1-2H3
InChIKeyFGIIQDXBNJQGLW-UHFFFAOYSA-N
XLogP14.09
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.06
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
CID 173290116
4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
CID 173105288
5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline
CID 171751639
2-(2-tert-butylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline
CID 58813351
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
bis(4,7-diphenyl-1,10-phenanthroline);2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+)
CID 11981047
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
CID 173138363
4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine
CID 178179780
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine
CID 166574277

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine?
The IUPAC name of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine (CID 142512771) is 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine.
What is the SMILES notation for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine?
The canonical SMILES for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine is CC.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine?
The InChIKey is FGIIQDXBNJQGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2.C18H24N2.C8H11N.C2H6/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-7(2)8-5-3-4-6-9-8;1-2/h1-16H;7-12H,1-6H3;3-7H,1-2H3;1-2H3.
What are the key properties of 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine?
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine has a molecular weight of 752.06 g/mol, XLogP of 14.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;4,7-diphenyl-1,10-phenanthroline;ethane;2-propan-2-ylpyridine is sourced from PubChem (CID 142512771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).