2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane

C23H18ClN3O — CID 142555495

IUPAC2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
SMILESCC.Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C21H12ClN3O.C2H6/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;1-2/h1-12H;1-2H3
InChIKeyLKZRYGICZYWGPH-UHFFFAOYSA-N
MW387.87 g/mol
LogP6.78
Rot. Bonds2

About 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane

2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane (PubChem CID 142555495) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
PubChem CID142555495
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
SMILESCC.Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C21H12ClN3O.C2H6/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;1-2/h1-12H;1-2H3
InChIKeyLKZRYGICZYWGPH-UHFFFAOYSA-N
XLogP6.78
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 139330600
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 139384244
2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 138691591
2-chloro-4-dibenzofuran-3-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845021
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-(10-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166925810
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane?
The IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane (CID 142555495) is 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane.
What is the SMILES notation for 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane?
The canonical SMILES for 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane is CC.Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1.
What is the InChIKey of 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane?
The InChIKey is LKZRYGICZYWGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClN3O.C2H6/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;1-2/h1-12H;1-2H3.
What are the key properties of 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane?
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane has a molecular weight of 387.87 g/mol, XLogP of 6.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane is sourced from PubChem (CID 142555495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).