8-bromo-1-dibenzothiophen-3-yldibenzothiophene

C24H13BrS2 — CID 170180168

IUPAC8-bromo-1-dibenzothiophen-3-yldibenzothiophene
SMILESBrc1ccc2sc3cccc(-c4ccc5c(c4)sc4ccccc45)c3c2c1
InChIInChI=1S/C24H13BrS2/c25-15-9-11-21-19(13-15)24-16(5-3-7-22(24)26-21)14-8-10-18-17-4-1-2-6-20(17)27-23(18)12-14/h1-13H
InChIKeyNOWXQCRCYRDDLQ-UHFFFAOYSA-N
MW445.41 g/mol
LogP8.85
Rot. Bonds1

About 8-bromo-1-dibenzothiophen-3-yldibenzothiophene

8-bromo-1-dibenzothiophen-3-yldibenzothiophene (PubChem CID 170180168) has the molecular formula C24H13BrS2 and a molecular weight of 445.41 g/mol. Its IUPAC name is 8-bromo-1-dibenzothiophen-3-yldibenzothiophene.

Molecular Properties

Compound Name8-bromo-1-dibenzothiophen-3-yldibenzothiophene
PubChem CID170180168
Molecular FormulaC24H13BrS2
Molecular Weight445.41 g/mol
Exact Mass443.96
IUPAC Name8-bromo-1-dibenzothiophen-3-yldibenzothiophene
SMILESBrc1ccc2sc3cccc(-c4ccc5c(c4)sc4ccccc45)c3c2c1
InChIInChI=1S/C24H13BrS2/c25-15-9-11-21-19(13-15)24-16(5-3-7-22(24)26-21)14-8-10-18-17-4-1-2-6-20(17)27-23(18)12-14/h1-13H
InChIKeyNOWXQCRCYRDDLQ-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.41
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromodibenzothiophene;dibenzothiophene
CID 158379286
bis(2-(8-bromodibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine);ethane
CID 145007107
2-dibenzothiophen-3-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
CID 140946712
3-(2-methyl-3-phenylphenyl)dibenzothiophene
CID 146397483
1-(4-methylphenyl)-8-triphenylen-2-yldibenzothiophene
CID 145447926
3-[5-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)naphthalen-1-yl]dibenzothiophene;3-[4-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)phenyl]dibenzothiophene;3-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)phenyl]dibenzothiophene
CID 161422968
5,18-dibromo-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 58004069
3-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzothiophene
CID 118516709
2-[9-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170193405
2-(3-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199446
1-(4-triphenylen-2-ylphenyl)dibenzothiophene
CID 118231149
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-dibenzothiophen-3-yldibenzothiophene?
The IUPAC name of 8-bromo-1-dibenzothiophen-3-yldibenzothiophene (CID 170180168) is 8-bromo-1-dibenzothiophen-3-yldibenzothiophene.
What is the SMILES notation for 8-bromo-1-dibenzothiophen-3-yldibenzothiophene?
The canonical SMILES for 8-bromo-1-dibenzothiophen-3-yldibenzothiophene is Brc1ccc2sc3cccc(-c4ccc5c(c4)sc4ccccc45)c3c2c1.
What is the InChIKey of 8-bromo-1-dibenzothiophen-3-yldibenzothiophene?
The InChIKey is NOWXQCRCYRDDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13BrS2/c25-15-9-11-21-19(13-15)24-16(5-3-7-22(24)26-21)14-8-10-18-17-4-1-2-6-20(17)27-23(18)12-14/h1-13H.
What are the key properties of 8-bromo-1-dibenzothiophen-3-yldibenzothiophene?
8-bromo-1-dibenzothiophen-3-yldibenzothiophene has a molecular weight of 445.41 g/mol, XLogP of 8.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-dibenzothiophen-3-yldibenzothiophene is sourced from PubChem (CID 170180168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).