2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine

C23H26BrN3 — CID 170722335

IUPAC2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(Br)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C23H26BrN3/c1-22(2,3)17-11-7-15(8-12-17)19-25-20(27-21(24)26-19)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3
InChIKeyDNYRAPNLMQKUJY-UHFFFAOYSA-N
MW424.39 g/mol
LogP6.56
Rot. Bonds2

About 2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine

2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine (PubChem CID 170722335) has the molecular formula C23H26BrN3 and a molecular weight of 424.39 g/mol. Its IUPAC name is 2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
PubChem CID170722335
Molecular FormulaC23H26BrN3
Molecular Weight424.39 g/mol
Exact Mass423.13
IUPAC Name2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(Br)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C23H26BrN3/c1-22(2,3)17-11-7-15(8-12-17)19-25-20(27-21(24)26-19)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3
InChIKeyDNYRAPNLMQKUJY-UHFFFAOYSA-N
XLogP6.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.39
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 67335182
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline
CID 163749792
2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine
CID 118642287
2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139271713
4-(4-tert-butylphenyl)-14-phenyl-3,5,13,15,28,30-hexazahexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(25),2(30),3,5,7,9,11(29),12,14,16(28),17,19,21(27),22(26),23-pentadecaene
CID 134507698
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine
CID 118196223
3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole
CID 23379869
2,4-diphenyl-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine
CID 121315550
2,4-bis(4-tert-butylphenyl)-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine;2-(4-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158510464
2,4-bis(4-tert-butylphenyl)-6-[4-[4-(5-phenyl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 67334150

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine?
The IUPAC name of 2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine (CID 170722335) is 2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine is CC(C)(C)c1ccc(-c2nc(Br)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1.
What is the InChIKey of 2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine?
The InChIKey is DNYRAPNLMQKUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3/c1-22(2,3)17-11-7-15(8-12-17)19-25-20(27-21(24)26-19)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3.
What are the key properties of 2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine?
2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine has a molecular weight of 424.39 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170722335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).