2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine

C39H23N3S2 — CID 138613779

IUPAC2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1
InChIInChI=1S/C39H23N3S2/c1-2-9-24(10-3-1)25-11-8-12-26(21-25)37-40-38(27-17-19-31-29-13-4-6-15-33(29)43-35(31)22-27)42-39(41-37)28-18-20-32-30-14-5-7-16-34(30)44-36(32)23-28/h1-23H
InChIKeyGPQVUABSJABIIO-UHFFFAOYSA-N
MW597.77 g/mol
LogP11.28
Rot. Bonds4

About 2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine

2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 138613779) has the molecular formula C39H23N3S2 and a molecular weight of 597.77 g/mol. Its IUPAC name is 2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID138613779
Molecular FormulaC39H23N3S2
Molecular Weight597.77 g/mol
Exact Mass597.13
IUPAC Name2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1
InChIInChI=1S/C39H23N3S2/c1-2-9-24(10-3-1)25-11-8-12-26(21-25)37-40-38(27-17-19-31-29-13-4-6-15-33(29)43-35(31)22-27)42-39(41-37)28-18-20-32-30-14-5-7-16-34(30)44-36(32)23-28/h1-23H
InChIKeyGPQVUABSJABIIO-UHFFFAOYSA-N
XLogP11.28
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.77
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-diphenyl-6-[7-[3-(3-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 154624639
2-dibenzothiophen-3-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845041
4,6-di(dibenzothiophen-3-yl)-2-[3-(4-phenylphenyl)phenyl]pyrimidine
CID 138613712
2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 138613719
2-dibenzothiophen-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 138659637
2-dibenzothiophen-3-yl-4-(7-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155380197
2-dibenzothiophen-3-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176587942
2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942654
2-dibenzothiophen-3-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 156673310
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 2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 138613779) is 2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is GPQVUABSJABIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3S2/c1-2-9-24(10-3-1)25-11-8-12-26(21-25)37-40-38(27-17-19-31-29-13-4-6-15-33(29)43-35(31)22-27)42-39(41-37)28-18-20-32-30-14-5-7-16-34(30)44-36(32)23-28/h1-23H.
What are the key properties of 2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 597.77 g/mol, XLogP of 11.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 138613779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).