2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine

C27H15ClFN3O — CID 169278824

IUPAC2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine
SMILESFc1ccc(-c2cccc(-c3nc(Cl)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C27H15ClFN3O/c28-27-31-25(18-6-3-5-17(15-18)16-11-13-19(29)14-12-16)30-26(32-27)22-9-4-8-21-20-7-1-2-10-23(20)33-24(21)22/h1-15H
InChIKeyFYTHUUVKAZCZNK-UHFFFAOYSA-N
MW451.89 g/mol
LogP7.56
Rot. Bonds3

About 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine

2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine (PubChem CID 169278824) has the molecular formula C27H15ClFN3O and a molecular weight of 451.89 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine
PubChem CID169278824
Molecular FormulaC27H15ClFN3O
Molecular Weight451.89 g/mol
Exact Mass451.09
IUPAC Name2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine
SMILESFc1ccc(-c2cccc(-c3nc(Cl)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C27H15ClFN3O/c28-27-31-25(18-6-3-5-17(15-18)16-11-13-19(29)14-12-16)30-26(32-27)22-9-4-8-21-20-7-1-2-10-23(20)33-24(21)22/h1-15H
InChIKeyFYTHUUVKAZCZNK-UHFFFAOYSA-N
XLogP7.56
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.89
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine
CID 169278916
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845014
2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164723679
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-(4-dibenzofuran-3-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167548643
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170186979
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-chloro-4-dibenzofuran-3-yl-6-[9-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 138519716

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine (CID 169278824) is 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine is Fc1ccc(-c2cccc(-c3nc(Cl)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine?
The InChIKey is FYTHUUVKAZCZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15ClFN3O/c28-27-31-25(18-6-3-5-17(15-18)16-11-13-19(29)14-12-16)30-26(32-27)22-9-4-8-21-20-7-1-2-10-23(20)33-24(21)22/h1-15H.
What are the key properties of 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine?
2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine has a molecular weight of 451.89 g/mol, XLogP of 7.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 169278824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).