2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine

C19H14ClN3 — CID 162700655

IUPAC2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine
SMILESC=Cc1cccc(-c2nc(Cl)nc(-c3cccc(C=C)c3)n2)c1
InChIInChI=1S/C19H14ClN3/c1-3-13-7-5-9-15(11-13)17-21-18(23-19(20)22-17)16-10-6-8-14(4-2)12-16/h3-12H,1-2H2
InChIKeyJBNXKXFIGPUHSY-UHFFFAOYSA-N
MW319.80 g/mol
LogP5.14
Rot. Bonds4

About 2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine

2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine (PubChem CID 162700655) has the molecular formula C19H14ClN3 and a molecular weight of 319.80 g/mol. Its IUPAC name is 2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine
PubChem CID162700655
Molecular FormulaC19H14ClN3
Molecular Weight319.80 g/mol
Exact Mass319.09
IUPAC Name2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine
SMILESC=Cc1cccc(-c2nc(Cl)nc(-c3cccc(C=C)c3)n2)c1
InChIInChI=1S/C19H14ClN3/c1-3-13-7-5-9-15(11-13)17-21-18(23-19(20)22-17)16-10-6-8-14(4-2)12-16/h3-12H,1-2H2
InChIKeyJBNXKXFIGPUHSY-UHFFFAOYSA-N
XLogP5.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.80
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 137370789
3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline
CID 170034814
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene
CID 160647587
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207
[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
CID 161136668
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
2-(3-ethenylphenyl)-1,3-dimethylbenzene
CID 123205650
2-chloro-4-phenyl-6-[3-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 177283386
3-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774596
2-chloro-4-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-6-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 171587082
2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2,4-dichloro-6-(3-phenylphenyl)-1,3,5-triazine;phenylboronic acid
CID 159203578

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine (CID 162700655) is 2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine is C=Cc1cccc(-c2nc(Cl)nc(-c3cccc(C=C)c3)n2)c1.
What is the InChIKey of 2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine?
The InChIKey is JBNXKXFIGPUHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3/c1-3-13-7-5-9-15(11-13)17-21-18(23-19(20)22-17)16-10-6-8-14(4-2)12-16/h3-12H,1-2H2.
What are the key properties of 2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine?
2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine has a molecular weight of 319.80 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(3-ethenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 162700655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).