2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine

C22H19N3 — CID 134186431

IUPAC2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1=CC=CC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C22H19N3/c1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18/h2-14,19H,15H2,1H3
InChIKeyXVYCRAJPRBFFLN-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.20
Rot. Bonds3

About 2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine

2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 134186431) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID134186431
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1=CC=CC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C22H19N3/c1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18/h2-14,19H,15H2,1H3
InChIKeyXVYCRAJPRBFFLN-UHFFFAOYSA-N
XLogP5.20
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene
CID 123713817
2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 167113631
2-[3-(5-chlorocyclohexa-2,4-dien-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129071044
2-cyclopropyl-4,6-diphenyl-1,3,5-triazine
CID 135273812
9-[4-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 155205585
2-[4-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol
CID 137091225
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 152947779
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650
3-[9-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 165155084
10-[4-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylacridine
CID 163739156
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole
CID 153310071

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine (CID 134186431) is 2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine is CC1=CC=CC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C1.
What is the InChIKey of 2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XVYCRAJPRBFFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18/h2-14,19H,15H2,1H3.
What are the key properties of 2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine?
2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 325.42 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 134186431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).