2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine

C21H14ClN3O — CID 153130331

IUPAC2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3c4c(oc3c2)C=CCC4)n1
InChIInChI=1S/C21H14ClN3O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-16-15-8-4-5-9-17(15)26-18(16)12-14/h1-3,5-7,9-12H,4,8H2
InChIKeyVWPLJLHYJFHCBL-UHFFFAOYSA-N
MW359.82 g/mol
LogP5.56
Rot. Bonds2

About 2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine

2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine (PubChem CID 153130331) has the molecular formula C21H14ClN3O and a molecular weight of 359.82 g/mol. Its IUPAC name is 2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
PubChem CID153130331
Molecular FormulaC21H14ClN3O
Molecular Weight359.82 g/mol
Exact Mass359.08
IUPAC Name2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3c4c(oc3c2)C=CCC4)n1
InChIInChI=1S/C21H14ClN3O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-16-15-8-4-5-9-17(15)26-18(16)12-14/h1-3,5-7,9-12H,4,8H2
InChIKeyVWPLJLHYJFHCBL-UHFFFAOYSA-N
XLogP5.56
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 ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[3-(7,8-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 174310954
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
CID 142555495
2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
CID 163504946
2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 139384244
2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 142555468
2-(9-bromodibenzofuran-3-yl)-4-chloro-6-phenyl-1,3,5-triazine
CID 164934286
2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 139330600
2-chloro-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 147220347
2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 138691591
4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 155442470
2-chloro-4-dibenzofuran-3-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845021
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine (CID 153130331) is 2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2ccc3c4c(oc3c2)C=CCC4)n1.
What is the InChIKey of 2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is VWPLJLHYJFHCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-16-15-8-4-5-9-17(15)26-18(16)12-14/h1-3,5-7,9-12H,4,8H2.
What are the key properties of 2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 359.82 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 153130331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).