2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine

C21H10Cl2FN3O — CID 171578577

IUPAC2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine
SMILESFc1cccc(-c2cccc3oc4ccccc4c23)c1-c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C21H10Cl2FN3O/c22-20-25-19(26-21(23)27-20)18-12(6-3-8-14(18)24)11-7-4-10-16-17(11)13-5-1-2-9-15(13)28-16/h1-10H
InChIKeyDWKOLRBFXHGYPN-UHFFFAOYSA-N
MW410.24 g/mol
LogP6.55
Rot. Bonds2

About 2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine

2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine (PubChem CID 171578577) has the molecular formula C21H10Cl2FN3O and a molecular weight of 410.24 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine
PubChem CID171578577
Molecular FormulaC21H10Cl2FN3O
Molecular Weight410.24 g/mol
Exact Mass409.02
IUPAC Name2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine
SMILESFc1cccc(-c2cccc3oc4ccccc4c23)c1-c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C21H10Cl2FN3O/c22-20-25-19(26-21(23)27-20)18-12(6-3-8-14(18)24)11-7-4-10-16-17(11)13-5-1-2-9-15(13)28-16/h1-10H
InChIKeyDWKOLRBFXHGYPN-UHFFFAOYSA-N
XLogP6.55
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.24
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine
CID 171812786
2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177278886
2-chloro-4-dibenzofuran-1-ylquinazoline
CID 126536609
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
2-chloro-4-dibenzofuran-1-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 168908626
2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156521704
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163770145
dibenzofuran-1-ol;2-(2-fluorophenyl)benzene-1,3-diol
CID 158363428
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 138519716
2,4-dichloro-6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 168908527
2-chloro-4-naphtho[3,2-b][1]benzofuran-11-yl-6-phenyl-1,3,5-triazine
CID 171730912

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine (CID 171578577) is 2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine is Fc1cccc(-c2cccc3oc4ccccc4c23)c1-c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine?
The InChIKey is DWKOLRBFXHGYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10Cl2FN3O/c22-20-25-19(26-21(23)27-20)18-12(6-3-8-14(18)24)11-7-4-10-16-17(11)13-5-1-2-9-15(13)28-16/h1-10H.
What are the key properties of 2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine?
2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine has a molecular weight of 410.24 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 171578577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).