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

C57H35N3S2 — CID 167349096

IUPAC2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C57H35N3S2/c1-4-16-36(17-5-1)38-30-32-40(33-31-38)52-48(39-20-8-3-9-21-39)34-41(37-18-6-2-7-19-37)35-49(52)57-59-55(46-26-14-24-44-42-22-10-12-28-50(42)61-53(44)46)58-56(60-57)47-27-15-25-45-43-23-11-13-29-51(43)62-54(45)47/h1-35H
InChIKeyZIYHBNOZLLKLNW-UHFFFAOYSA-N
MW826.06 g/mol
LogP16.28
Rot. Bonds7

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

2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 167349096) has the molecular formula C57H35N3S2 and a molecular weight of 826.06 g/mol. Its IUPAC name is 2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID167349096
Molecular FormulaC57H35N3S2
Molecular Weight826.06 g/mol
Exact Mass825.23
IUPAC Name2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C57H35N3S2/c1-4-16-36(17-5-1)38-30-32-40(33-31-38)52-48(39-20-8-3-9-21-39)34-41(37-18-6-2-7-19-37)35-49(52)57-59-55(46-26-14-24-44-42-22-10-12-28-50(42)61-53(44)46)58-56(60-57)47-27-15-25-45-43-23-11-13-29-51(43)62-54(45)47/h1-35H
InChIKeyZIYHBNOZLLKLNW-UHFFFAOYSA-N
XLogP16.28
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349309
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-1,3,5-triazine
CID 170939935
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
2,4-di(dibenzothiophen-4-yl)-6-[5-phenyl-2-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 167349007
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 155763933
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 139442114
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
2-(4-dibenzothiophen-4-yl-3-phenylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163619693
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 155329887
2-dibenzothiophen-4-yl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 139442140
2,4-di(dibenzothiophen-4-yl)-6-[3-naphthalen-1-yl-6-phenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349136

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine (CID 167349096) is 2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is ZIYHBNOZLLKLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3S2/c1-4-16-36(17-5-1)38-30-32-40(33-31-38)52-48(39-20-8-3-9-21-39)34-41(37-18-6-2-7-19-37)35-49(52)57-59-55(46-26-14-24-44-42-22-10-12-28-50(42)61-53(44)46)58-56(60-57)47-27-15-25-45-43-23-11-13-29-51(43)62-54(45)47/h1-35H.
What are the key properties of 2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine?
2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 826.06 g/mol, XLogP of 16.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 167349096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).