5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine

C23H31N — CID 118300467

IUPAC5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)nc1
InChIInChI=1S/C23H31N/c1-21(2,3)17-9-11-20(24-15-17)16-8-10-18-19(14-16)23(6,7)13-12-22(18,4)5/h8-11,14-15H,12-13H2,1-7H3
InChIKeyKRXGIYUOLFWGFB-UHFFFAOYSA-N
MW321.51 g/mol
LogP6.40
Rot. Bonds1

About 5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine

5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine (PubChem CID 118300467) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
PubChem CID118300467
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)nc1
InChIInChI=1S/C23H31N/c1-21(2,3)17-9-11-20(24-15-17)16-8-10-18-19(14-16)23(6,7)13-12-22(18,4)5/h8-11,14-15H,12-13H2,1-7H3
InChIKeyKRXGIYUOLFWGFB-UHFFFAOYSA-N
XLogP6.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-3-amine
CID 116525884
6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 170942414
5-(2,6-dimethylphenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 155602203
2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine
CID 138461260
trimethyl-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]silane
CID 156686707
2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-ol
CID 71521561
5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline
CID 129074693
5-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 157182456
N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
CID 155595906
2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
CID 140826425
5-tert-butyl-2-phenylpyridine;iridium;2-[7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine
CID 166051734
3-(2,6-dimethyl-3-pyridinyl)-5,5,8,8-tetramethyl-6,7-dihydroisoquinoline;ethane;5,5,8,8-tetramethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydroisoquinoline
CID 144898406

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine?
The IUPAC name of 5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine (CID 118300467) is 5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine.
What is the SMILES notation for 5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine?
The canonical SMILES for 5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine is CC(C)(C)c1ccc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)nc1.
What is the InChIKey of 5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine?
The InChIKey is KRXGIYUOLFWGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-21(2,3)17-9-11-20(24-15-17)16-8-10-18-19(14-16)23(6,7)13-12-22(18,4)5/h8-11,14-15H,12-13H2,1-7H3.
What are the key properties of 5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine?
5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine has a molecular weight of 321.51 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine is sourced from PubChem (CID 118300467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).