bis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane

C56H38Br2N6S2 — CID 145007107

IUPACbis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane
SMILESBrc1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1.Brc1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1.CC
InChIInChI=1S/2C27H16BrN3S.C2H6/c2*28-19-14-15-22-21(16-19)24-20(12-7-13-23(24)32-22)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18;1-2/h2*1-16H;1-2H3
InChIKeyLAIGQHUORANQOX-UHFFFAOYSA-N
MW1018.90 g/mol
LogP17.03
Rot. Bonds6

About bis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane

bis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane (PubChem CID 145007107) has the molecular formula C56H38Br2N6S2 and a molecular weight of 1018.90 g/mol. Its IUPAC name is bis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane.

Molecular Properties

Compound Namebis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane
PubChem CID145007107
Molecular FormulaC56H38Br2N6S2
Molecular Weight1018.90 g/mol
Exact Mass1016.10
IUPAC Namebis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane
SMILESBrc1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1.Brc1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1.CC
InChIInChI=1S/2C27H16BrN3S.C2H6/c2*28-19-14-15-22-21(16-19)24-20(12-7-13-23(24)32-22)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18;1-2/h2*1-16H;1-2H3
InChIKeyLAIGQHUORANQOX-UHFFFAOYSA-N
XLogP17.03
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001018.90
LogP ≤ 517.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031
2-dibenzothiophen-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050063
2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946773
2-[8-(3,4-diphenylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 134198722
2,4-diphenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 159903091
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2-dibenzothiophen-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
CID 134199441
2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 164984529
2-naphtho[2,1-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 155474127
N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine
CID 164829419
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171455774

Frequently Asked Questions

What is the IUPAC name of bis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane?
The IUPAC name of bis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane (CID 145007107) is bis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane.
What is the SMILES notation for bis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane?
The canonical SMILES for bis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane is Brc1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1.Brc1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1.CC.
What is the InChIKey of bis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane?
The InChIKey is LAIGQHUORANQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H16BrN3S.C2H6/c2*28-19-14-15-22-21(16-19)24-20(12-7-13-23(24)32-22)27-30-25(17-8-3-1-4-9-17)29-26(31-27)18-10-5-2-6-11-18;1-2/h2*1-16H;1-2H3.
What are the key properties of bis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane?
bis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane has a molecular weight of 1018.90 g/mol, XLogP of 17.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane is sourced from PubChem (CID 145007107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).