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

C29H30BrN3 — CID 129294494

IUPAC4-(4-bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
SMILESCC(C)(C)c1ccnc(-c2cc(-c3ccc(Br)cc3)cc(-c3cc(C(C)(C)C)ccn3)n2)c1
InChIInChI=1S/C29H30BrN3/c1-28(2,3)21-11-13-31-24(17-21)26-15-20(19-7-9-23(30)10-8-19)16-27(33-26)25-18-22(12-14-32-25)29(4,5)6/h7-18H,1-6H3
InChIKeyNUUUGIJZHWPYPS-UHFFFAOYSA-N
MW500.48 g/mol
LogP8.23
Rot. Bonds3

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

4-(4-bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine (PubChem CID 129294494) has the molecular formula C29H30BrN3 and a molecular weight of 500.48 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
PubChem CID129294494
Molecular FormulaC29H30BrN3
Molecular Weight500.48 g/mol
Exact Mass499.16
IUPAC Name4-(4-bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
SMILESCC(C)(C)c1ccnc(-c2cc(-c3ccc(Br)cc3)cc(-c3cc(C(C)(C)C)ccn3)n2)c1
InChIInChI=1S/C29H30BrN3/c1-28(2,3)21-11-13-31-24(17-21)26-15-20(19-7-9-23(30)10-8-19)16-27(33-26)25-18-22(12-14-32-25)29(4,5)6/h7-18H,1-6H3
InChIKeyNUUUGIJZHWPYPS-UHFFFAOYSA-N
XLogP8.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.48
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine?
The IUPAC name of 4-(4-bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine (CID 129294494) is 4-(4-bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine.
What is the SMILES notation for 4-(4-bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine?
The canonical SMILES for 4-(4-bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine is CC(C)(C)c1ccnc(-c2cc(-c3ccc(Br)cc3)cc(-c3cc(C(C)(C)C)ccn3)n2)c1.
What is the InChIKey of 4-(4-bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine?
The InChIKey is NUUUGIJZHWPYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30BrN3/c1-28(2,3)21-11-13-31-24(17-21)26-15-20(19-7-9-23(30)10-8-19)16-27(33-26)25-18-22(12-14-32-25)29(4,5)6/h7-18H,1-6H3.
What are the key properties of 4-(4-bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine?
4-(4-bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine has a molecular weight of 500.48 g/mol, XLogP of 8.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine is sourced from PubChem (CID 129294494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).