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

C39H23N3S2 — CID 176831433

IUPAC2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C39H23N3S2/c1-2-9-24(10-3-1)25-17-19-26(20-18-25)37-40-38(27-21-22-30-28-11-4-6-15-33(28)43-35(30)23-27)42-39(41-37)32-14-8-13-31-29-12-5-7-16-34(29)44-36(31)32/h1-23H
InChIKeyYDGZMVRIMGYAEF-UHFFFAOYSA-N
MW597.77 g/mol
LogP11.28
Rot. Bonds4

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

2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 176831433) has the molecular formula C39H23N3S2 and a molecular weight of 597.77 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID176831433
Molecular FormulaC39H23N3S2
Molecular Weight597.77 g/mol
Exact Mass597.13
IUPAC Name2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C39H23N3S2/c1-2-9-24(10-3-1)25-17-19-26(20-18-25)37-40-38(27-21-22-30-28-11-4-6-15-33(28)43-35(30)23-27)42-39(41-37)32-14-8-13-31-29-12-5-7-16-34(29)44-36(31)32/h1-23H
InChIKeyYDGZMVRIMGYAEF-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-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146669978
2-[4-(6-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377434
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442046
2-dibenzothiophen-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850235
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 147900482
2-dibenzothiophen-4-yl-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 171445753
2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine
CID 156574591
2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170378405
2,4-bis(3,5-diphenylphenyl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine
CID 165107062
2-[3-(8-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377191

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine (CID 176831433) is 2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is YDGZMVRIMGYAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3S2/c1-2-9-24(10-3-1)25-17-19-26(20-18-25)37-40-38(27-21-22-30-28-11-4-6-15-33(28)43-35(30)23-27)42-39(41-37)32-14-8-13-31-29-12-5-7-16-34(29)44-36(31)32/h1-23H.
What are the key properties of 2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-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-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176831433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).