2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine

C39H24FN3S — CID 176849845

IUPAC2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
SMILESFc1ccc(-c2cccc(-c3ccccc3)c2)cc1-c1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2ccccc23)n1
InChIInChI=1S/C39H24FN3S/c40-34-21-19-29(28-15-9-14-27(22-28)25-10-3-1-4-11-25)23-33(34)39-42-37(26-12-5-2-6-13-26)41-38(43-39)30-18-20-32-31-16-7-8-17-35(31)44-36(32)24-30/h1-24H
InChIKeyYGULLLZDJGJZAD-UHFFFAOYSA-N
MW585.71 g/mol
LogP10.71
Rot. Bonds5

About 2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine

2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 176849845) has the molecular formula C39H24FN3S and a molecular weight of 585.71 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID176849845
Molecular FormulaC39H24FN3S
Molecular Weight585.71 g/mol
Exact Mass585.17
IUPAC Name2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
SMILESFc1ccc(-c2cccc(-c3ccccc3)c2)cc1-c1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2ccccc23)n1
InChIInChI=1S/C39H24FN3S/c40-34-21-19-29(28-15-9-14-27(22-28)25-10-3-1-4-11-25)23-33(34)39-42-37(26-12-5-2-6-13-26)41-38(43-39)30-18-20-32-31-16-7-8-17-35(31)44-36(32)24-30/h1-24H
InChIKeyYGULLLZDJGJZAD-UHFFFAOYSA-N
XLogP10.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-dibenzothiophen-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850210
2-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698
2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 138613779
2-[4-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942425
2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942654
2,4-diphenyl-6-[7-[3-(3-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 154624639
2-dibenzothiophen-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 138659637
2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine
CID 177292330
2-(9-dibenzothiophen-1-yldibenzothiophen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155377527
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
CID 155049982
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine (CID 176849845) is 2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine is Fc1ccc(-c2cccc(-c3ccccc3)c2)cc1-c1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2ccccc23)n1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is YGULLLZDJGJZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24FN3S/c40-34-21-19-29(28-15-9-14-27(22-28)25-10-3-1-4-11-25)23-33(34)39-42-37(26-12-5-2-6-13-26)41-38(43-39)30-18-20-32-31-16-7-8-17-35(31)44-36(32)24-30/h1-24H.
What are the key properties of 2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 585.71 g/mol, XLogP of 10.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 176849845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).