2-butan-2-yl-4,6-diphenyl-1,3,5-triazine

C19H19N3 — CID 23399466

IUPAC2-butan-2-yl-4,6-diphenyl-1,3,5-triazine
SMILESCCC(C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H19N3/c1-3-14(2)17-20-18(15-10-6-4-7-11-15)22-19(21-17)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeySKOQSPWQRUAICA-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.72
Rot. Bonds4

About 2-butan-2-yl-4,6-diphenyl-1,3,5-triazine

2-butan-2-yl-4,6-diphenyl-1,3,5-triazine (PubChem CID 23399466) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-butan-2-yl-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-butan-2-yl-4,6-diphenyl-1,3,5-triazine
PubChem CID23399466
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name2-butan-2-yl-4,6-diphenyl-1,3,5-triazine
SMILESCCC(C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H19N3/c1-3-14(2)17-20-18(15-10-6-4-7-11-15)22-19(21-17)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeySKOQSPWQRUAICA-UHFFFAOYSA-N
XLogP4.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
2,4-bis[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 176842994
2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine
CID 139499873
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718
2,4-diphenyl-6-[4-[4-phenyl-6-[3-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176843198
2-butan-2-yl-6-phenylpyrazine
CID 139480999
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 159185452
4-phenyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63868472
2-chloro-4-[(3R)-pent-1-en-3-yl]-6-phenyl-1,3,5-triazine
CID 167138516
5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine
CID 66292295
2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine
CID 165149803
2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine
CID 176843141

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-butan-2-yl-4,6-diphenyl-1,3,5-triazine (CID 23399466) is 2-butan-2-yl-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-butan-2-yl-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-butan-2-yl-4,6-diphenyl-1,3,5-triazine is CCC(C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-butan-2-yl-4,6-diphenyl-1,3,5-triazine?
The InChIKey is SKOQSPWQRUAICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-3-14(2)17-20-18(15-10-6-4-7-11-15)22-19(21-17)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-4,6-diphenyl-1,3,5-triazine?
2-butan-2-yl-4,6-diphenyl-1,3,5-triazine has a molecular weight of 289.38 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 23399466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).