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

C30H33N3 — CID 23527749

IUPAC2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine
SMILESCc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(-c3c(C)cc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C30H33N3/c1-16-10-19(4)25(20(5)11-16)28-31-29(26-21(6)12-17(2)13-22(26)7)33-30(32-28)27-23(8)14-18(3)15-24(27)9/h10-15H,1-9H3
InChIKeyUMTPWNPPDSJPKB-UHFFFAOYSA-N
MW435.62 g/mol
LogP7.65
Rot. Bonds3

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

2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine (PubChem CID 23527749) has the molecular formula C30H33N3 and a molecular weight of 435.62 g/mol. Its IUPAC name is 2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine
PubChem CID23527749
Molecular FormulaC30H33N3
Molecular Weight435.62 g/mol
Exact Mass435.27
IUPAC Name2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine
SMILESCc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(-c3c(C)cc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C30H33N3/c1-16-10-19(4)25(20(5)11-16)28-31-29(26-21(6)12-17(2)13-22(26)7)33-30(32-28)27-23(8)14-18(3)15-24(27)9/h10-15H,1-9H3
InChIKeyUMTPWNPPDSJPKB-UHFFFAOYSA-N
XLogP7.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.62
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Kyaphenine
CID 10305
2-Methyl-4,6-diphenyl-1,3,5-triazine
CID 19196
Tris-biphenyl triazine
CID 11628027
1,3,5-Triazine, 2,4-dimethoxy-6-(1-pyrenyl)-
CID 76757
6-(2,4-dimethylphenyl)-1,3,5-Triazine-2,4-diamine
CID 25163924
2,4,6-Tris(4-methylphenyl)-1,3,5-triazine
CID 23182
1,3,5-Triazine, 2-chloro-4,6-bis(2,4-dimethylphenyl)-
CID 71059
4-(3,4-Dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645164
2-Chloro-4,6-di-p-tolyl-1,3,5-triazine
CID 30851
2,4-Dichloro-6-pyren-1-yl-1,3,5-triazine
CID 76698
2-(4-Fluorophenyl)-4,6-diphenyl-1,3,5-triazine
CID 15850059
2,4-Bis(4-biphenylyl)-6-chloro-1,3,5-triazine
CID 22476006

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine (CID 23527749) is 2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine is Cc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(-c3c(C)cc(C)cc3C)n2)c(C)c1.
What is the InChIKey of 2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine?
The InChIKey is UMTPWNPPDSJPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3/c1-16-10-19(4)25(20(5)11-16)28-31-29(26-21(6)12-17(2)13-22(26)7)33-30(32-28)27-23(8)14-18(3)15-24(27)9/h10-15H,1-9H3.
What are the key properties of 2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine?
2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine has a molecular weight of 435.62 g/mol, XLogP of 7.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2,4,6-trimethylphenyl)-1,3,5-triazine is sourced from PubChem (CID 23527749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).