2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C39H24FN3O — CID 142577059

IUPAC2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc2oc3ccc(-c4ccccc4)cc3c2c1
InChIInChI=1S/C39H24FN3O/c40-34-19-16-30(39-42-37(26-12-6-2-7-13-26)41-38(43-39)27-14-8-3-9-15-27)24-31(34)29-18-21-36-33(23-29)32-22-28(17-20-35(32)44-36)25-10-4-1-5-11-25/h1-24H
InChIKeyLGECHJJHBPILID-UHFFFAOYSA-N
MW569.64 g/mol
LogP10.25
Rot. Bonds5

About 2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 142577059) has the molecular formula C39H24FN3O and a molecular weight of 569.64 g/mol. Its IUPAC name is 2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID142577059
Molecular FormulaC39H24FN3O
Molecular Weight569.64 g/mol
Exact Mass569.19
IUPAC Name2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc2oc3ccc(-c4ccccc4)cc3c2c1
InChIInChI=1S/C39H24FN3O/c40-34-19-16-30(39-42-37(26-12-6-2-7-13-26)41-38(43-39)27-14-8-3-9-15-27)24-31(34)29-18-21-36-33(23-29)32-22-28(17-20-35(32)44-36)25-10-4-1-5-11-25/h1-24H
InChIKeyLGECHJJHBPILID-UHFFFAOYSA-N
XLogP10.25
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.64
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146415001
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-[4-[8-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193050
2-[4-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078928
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034
2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402344
2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 156661349

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 142577059) is 2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc2oc3ccc(-c4ccccc4)cc3c2c1.
What is the InChIKey of 2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is LGECHJJHBPILID-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24FN3O/c40-34-19-16-30(39-42-37(26-12-6-2-7-13-26)41-38(43-39)27-14-8-3-9-15-27)24-31(34)29-18-21-36-33(23-29)32-22-28(17-20-35(32)44-36)25-10-4-1-5-11-25/h1-24H.
What are the key properties of 2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 569.64 g/mol, XLogP of 10.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 142577059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).