2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine

C27H35N3 — CID 91111848

IUPAC2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine
SMILESCC(C)(C)c1nc(-c2ccccn2)c(-c2ccccn2)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C27H35N3/c1-25(2,3)21-20(18-14-10-12-16-28-18)23(19-15-11-13-17-29-19)30-24(27(7,8)9)22(21)26(4,5)6/h10-17H,1-9H3
InChIKeyBUIDHXMBIFCJEZ-UHFFFAOYSA-N
MW401.60 g/mol
LogP7.10
Rot. Bonds2

About 2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine

2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine (PubChem CID 91111848) has the molecular formula C27H35N3 and a molecular weight of 401.60 g/mol. Its IUPAC name is 2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine
PubChem CID91111848
Molecular FormulaC27H35N3
Molecular Weight401.60 g/mol
Exact Mass401.28
IUPAC Name2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine
SMILESCC(C)(C)c1nc(-c2ccccn2)c(-c2ccccn2)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C27H35N3/c1-25(2,3)21-20(18-14-10-12-16-28-18)23(19-15-11-13-17-29-19)30-24(27(7,8)9)22(21)26(4,5)6/h10-17H,1-9H3
InChIKeyBUIDHXMBIFCJEZ-UHFFFAOYSA-N
XLogP7.10
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.60
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-tert-butyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 129314885
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
6-tert-butyl-3-pyridin-2-yl-4H-1,2,4-triazin-5-one
CID 135840397
5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline
CID 21026689
2-(2-tert-butylphenyl)pyridine
CID 67807360
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine
CID 80977116
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine?
The IUPAC name of 2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine (CID 91111848) is 2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine?
The canonical SMILES for 2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine is CC(C)(C)c1nc(-c2ccccn2)c(-c2ccccn2)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine?
The InChIKey is BUIDHXMBIFCJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3/c1-25(2,3)21-20(18-14-10-12-16-28-18)23(19-15-11-13-17-29-19)30-24(27(7,8)9)22(21)26(4,5)6/h10-17H,1-9H3.
What are the key properties of 2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine?
2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine has a molecular weight of 401.60 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tritert-butyl-5,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 91111848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).