4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine

C27H35N3 — CID 4229824

IUPAC4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)ccn3)n2)c1
InChIInChI=1S/C27H35N3/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6/h10-17H,1-9H3
InChIKeyQMABMHJGSFUTPF-UHFFFAOYSA-N
MW401.60 g/mol
LogP7.10
Rot. Bonds2

About 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine

4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine (PubChem CID 4229824) has the molecular formula C27H35N3 and a molecular weight of 401.60 g/mol. Its IUPAC name is 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
PubChem CID4229824
Molecular FormulaC27H35N3
Molecular Weight401.60 g/mol
Exact Mass401.28
IUPAC Name4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)ccn3)n2)c1
InChIInChI=1S/C27H35N3/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6/h10-17H,1-9H3
InChIKeyQMABMHJGSFUTPF-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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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine?
The IUPAC name of 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine (CID 4229824) is 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine.
What is the SMILES notation for 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine?
The canonical SMILES for 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine is CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)ccn3)n2)c1.
What is the InChIKey of 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine?
The InChIKey is QMABMHJGSFUTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6/h10-17H,1-9H3.
What are the key properties of 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine?
4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine 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 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine is sourced from PubChem (CID 4229824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).