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

C21H14ClN3O — CID 155201224

IUPAC2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine
SMILESClc1nc(C2=CC=CCC2)nc(-c2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C21H14ClN3O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-18-16(12-14)15-8-4-5-9-17(15)26-18/h1-2,4-6,8-12H,3,7H2
InChIKeyFVFQTFMBJZIDFK-UHFFFAOYSA-N
MW359.82 g/mol
LogP5.82
Rot. Bonds2

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

2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine (PubChem CID 155201224) has the molecular formula C21H14ClN3O and a molecular weight of 359.82 g/mol. Its IUPAC name is 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine
PubChem CID155201224
Molecular FormulaC21H14ClN3O
Molecular Weight359.82 g/mol
Exact Mass359.08
IUPAC Name2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine
SMILESClc1nc(C2=CC=CCC2)nc(-c2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C21H14ClN3O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-18-16(12-14)15-8-4-5-9-17(15)26-18/h1-2,4-6,8-12H,3,7H2
InChIKeyFVFQTFMBJZIDFK-UHFFFAOYSA-N
XLogP5.82
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.82
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167007738
6-[10-(4-cyclohexa-1,3-dien-1-ylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163460891
2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 153288146
2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine
CID 171430910
2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 171439501
2,4-dichloro-6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 168908527
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine
CID 155203983
2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 142555468
2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 139384244
2-[2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170126361
2-cyclohexa-1,3-dien-1-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(6,8-diphenyl-1,9b-dihydrodibenzothiophen-1-yl)-1,3,5-triazine
CID 170189203

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine (CID 155201224) is 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine is Clc1nc(C2=CC=CCC2)nc(-c2ccc3oc4ccccc4c3c2)n1.
What is the InChIKey of 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine?
The InChIKey is FVFQTFMBJZIDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-18-16(12-14)15-8-4-5-9-17(15)26-18/h1-2,4-6,8-12H,3,7H2.
What are the key properties of 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine?
2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine has a molecular weight of 359.82 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine is sourced from PubChem (CID 155201224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).