2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine

C21H17N3 — CID 146207336

IUPAC2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine
SMILESC1=CC(c2ccc(-c3ncnc(-c4ccccc4)n3)cc2)=CCC1
InChIInChI=1S/C21H17N3/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-23-15-22-20(24-21)18-9-5-2-6-10-18/h2-3,5-15H,1,4H2
InChIKeyKSLDTJKPOQLZDE-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.94
Rot. Bonds3

About 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine

2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine (PubChem CID 146207336) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine
PubChem CID146207336
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine
SMILESC1=CC(c2ccc(-c3ncnc(-c4ccccc4)n3)cc2)=CCC1
InChIInChI=1S/C21H17N3/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-23-15-22-20(24-21)18-9-5-2-6-10-18/h2-3,5-15H,1,4H2
InChIKeyKSLDTJKPOQLZDE-UHFFFAOYSA-N
XLogP4.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 142451993
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)boronic acid
CID 144602933
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
CID 138636514
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
CID 174355929
9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-naphthalen-2-yl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170006850
2-phenylcycloocta-1,3,5-triene
CID 123254366
2-phenyl-4-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 134581962
2-cyclohexa-1,5-dien-1-yl-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 174349088

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine (CID 146207336) is 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine is C1=CC(c2ccc(-c3ncnc(-c4ccccc4)n3)cc2)=CCC1.
What is the InChIKey of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine?
The InChIKey is KSLDTJKPOQLZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-23-15-22-20(24-21)18-9-5-2-6-10-18/h2-3,5-15H,1,4H2.
What are the key properties of 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine?
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine has a molecular weight of 311.39 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine is sourced from PubChem (CID 146207336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).