2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine

C19H14ClN3 — CID 170046238

IUPAC2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESClc1nc(-c2ccc3ccccc3c2)nc(C2C=CC=CC2)n1
InChIInChI=1S/C19H14ClN3/c20-19-22-17(14-7-2-1-3-8-14)21-18(23-19)16-11-10-13-6-4-5-9-15(13)12-16/h1-7,9-12,14H,8H2
InChIKeyKYDYNOUKZUXGSE-UHFFFAOYSA-N
MW319.80 g/mol
LogP4.94
Rot. Bonds2

About 2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine

2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 170046238) has the molecular formula C19H14ClN3 and a molecular weight of 319.80 g/mol. Its IUPAC name is 2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID170046238
Molecular FormulaC19H14ClN3
Molecular Weight319.80 g/mol
Exact Mass319.09
IUPAC Name2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESClc1nc(-c2ccc3ccccc3c2)nc(C2C=CC=CC2)n1
InChIInChI=1S/C19H14ClN3/c20-19-22-17(14-7-2-1-3-8-14)21-18(23-19)16-11-10-13-6-4-5-9-15(13)12-16/h1-7,9-12,14H,8H2
InChIKeyKYDYNOUKZUXGSE-UHFFFAOYSA-N
XLogP4.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]fluoranthen-3-yl]benzonitrile
CID 156575643
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-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 166656868
2-cyclohexa-2,4-dien-1-yl-5,5-dimethyl-7-(4-naphthalen-2-ylphenyl)-4-phenylindeno[1,2-d]pyrimidine
CID 144636094
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
2-chrysen-2-yl-4-cyclohexa-2,4-dien-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 167143962
2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164745875
2-chloro-4-naphthalen-2-yl-6-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 171731211
4-[4-(4-bromophenyl)-6-cyclohexa-2,4-dien-1-yl-1,3,5-triazin-2-yl]benzonitrile
CID 146480614
2-[2-[12-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 174276006
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
1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 158533996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine (CID 170046238) is 2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine is Clc1nc(-c2ccc3ccccc3c2)nc(C2C=CC=CC2)n1.
What is the InChIKey of 2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is KYDYNOUKZUXGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3/c20-19-22-17(14-7-2-1-3-8-14)21-18(23-19)16-11-10-13-6-4-5-9-15(13)12-16/h1-7,9-12,14H,8H2.
What are the key properties of 2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 319.80 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 170046238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).