2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine

C33H39N3 — CID 58250690

IUPAC2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
SMILESCCC(C)c1ccc(-c2nc(-c3ccc(C(C)CC)cc3)nc(-c3ccc(C(C)CC)cc3)n2)cc1
InChIInChI=1S/C33H39N3/c1-7-22(4)25-10-16-28(17-11-25)31-34-32(29-18-12-26(13-19-29)23(5)8-2)36-33(35-31)30-20-14-27(15-21-30)24(6)9-3/h10-24H,7-9H2,1-6H3
InChIKeyYXNCKUSWYCGCKY-UHFFFAOYSA-N
MW477.70 g/mol
LogP9.41
Rot. Bonds9

About 2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine

2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine (PubChem CID 58250690) has the molecular formula C33H39N3 and a molecular weight of 477.70 g/mol. Its IUPAC name is 2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
PubChem CID58250690
Molecular FormulaC33H39N3
Molecular Weight477.70 g/mol
Exact Mass477.31
IUPAC Name2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
SMILESCCC(C)c1ccc(-c2nc(-c3ccc(C(C)CC)cc3)nc(-c3ccc(C(C)CC)cc3)n2)cc1
InChIInChI=1S/C33H39N3/c1-7-22(4)25-10-16-28(17-11-25)31-34-32(29-18-12-26(13-19-29)23(5)8-2)36-33(35-31)30-20-14-27(15-21-30)24(6)9-3/h10-24H,7-9H2,1-6H3
InChIKeyYXNCKUSWYCGCKY-UHFFFAOYSA-N
XLogP9.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.70
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718
2-butan-2-yl-4,6-diphenyl-1,3,5-triazine
CID 23399466
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
3-[4-[(2S)-butan-2-yl]phenyl]-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide
CID 126434921
3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine
CID 157019762
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-butan-2-yl-4-fluorobenzene
CID 11829648
2-[3,5-bis[5-(4-butan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-butan-2-ylphenyl)-1,3,4-oxadiazole
CID 59882736
bis(4-butan-2-ylphenyl)-dihydroxysilane
CID 67121260
1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine
CID 63424435
4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82293127
6-(4-butan-2-ylphenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 82122656

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine (CID 58250690) is 2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine is CCC(C)c1ccc(-c2nc(-c3ccc(C(C)CC)cc3)nc(-c3ccc(C(C)CC)cc3)n2)cc1.
What is the InChIKey of 2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine?
The InChIKey is YXNCKUSWYCGCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3/c1-7-22(4)25-10-16-28(17-11-25)31-34-32(29-18-12-26(13-19-29)23(5)8-2)36-33(35-31)30-20-14-27(15-21-30)24(6)9-3/h10-24H,7-9H2,1-6H3.
What are the key properties of 2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine?
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine has a molecular weight of 477.70 g/mol, XLogP of 9.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 58250690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).