2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine

C27H16ClN3O — CID 135124545

IUPAC2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
SMILESClc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c1
InChIInChI=1S/C27H16ClN3O/c28-19-11-6-10-18(16-19)26-29-25(17-8-2-1-3-9-17)30-27(31-26)21-13-7-15-23-24(21)20-12-4-5-14-22(20)32-23/h1-16H
InChIKeyAAGQSSYIJJKWCE-UHFFFAOYSA-N
MW433.90 g/mol
LogP7.43
Rot. Bonds3

About 2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine

2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 135124545) has the molecular formula C27H16ClN3O and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
PubChem CID135124545
Molecular FormulaC27H16ClN3O
Molecular Weight433.90 g/mol
Exact Mass433.10
IUPAC Name2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
SMILESClc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c1
InChIInChI=1S/C27H16ClN3O/c28-19-11-6-10-18(16-19)26-29-25(17-8-2-1-3-9-17)30-27(31-26)21-13-7-15-23-24(21)20-12-4-5-14-22(20)32-23/h1-16H
InChIKeyAAGQSSYIJJKWCE-UHFFFAOYSA-N
XLogP7.43
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 162471283
2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 166743487
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-(8-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198547
2-(3-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 135143486
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2-(7-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 171587100
2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741757
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 139304336
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine (CID 135124545) is 2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine is Clc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is AAGQSSYIJJKWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClN3O/c28-19-11-6-10-18(16-19)26-29-25(17-8-2-1-3-9-17)30-27(31-26)21-13-7-15-23-24(21)20-12-4-5-14-22(20)32-23/h1-16H.
What are the key properties of 2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 433.90 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 135124545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).