2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene

C96H52Cl4OS7 — CID 158314932

IUPAC2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene
SMILESClc1ccc2sc3ccc(-c4ccc5oc6ccccc6c5c4)cc3c2c1.Clc1ccc2sc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c2c1.Clc1cccc2c1sc1ccc(-c3ccc4sc5ccccc5c4c3)cc12.Clc1cccc2sc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c12
InChIInChI=1S/C24H13ClOS.3C24H13ClS2/c25-16-7-10-24-20(13-16)19-12-15(6-9-23(19)27-24)14-5-8-22-18(11-14)17-3-1-2-4-21(17)26-22;25-20-6-3-5-17-19-13-15(9-11-23(19)27-24(17)20)14-8-10-22-18(12-14)16-4-1-2-7-21(16)26-22;25-19-5-3-7-23-24(19)18-13-15(9-11-22(18)27-23)14-8-10-21-17(12-14)16-4-1-2-6-20(16)26-21;25-16-7-10-24-20(13-16)19-12-15(6-9-23(19)27-24)14-5-8-22-18(11-14)17-3-1-2-4-21(17)26-22/h4*1-13H
InChIKeyGODLRBVVKBDZFE-UHFFFAOYSA-N
MW1587.75 g/mol
LogP34.50
Rot. Bonds4

About 2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene

2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene (PubChem CID 158314932) has the molecular formula C96H52Cl4OS7 and a molecular weight of 1587.75 g/mol. Its IUPAC name is 2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene.

Molecular Properties

Compound Name2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene
PubChem CID158314932
Molecular FormulaC96H52Cl4OS7
Molecular Weight1587.75 g/mol
Exact Mass1584.08
IUPAC Name2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene
SMILESClc1ccc2sc3ccc(-c4ccc5oc6ccccc6c5c4)cc3c2c1.Clc1ccc2sc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c2c1.Clc1cccc2c1sc1ccc(-c3ccc4sc5ccccc5c4c3)cc12.Clc1cccc2sc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c12
InChIInChI=1S/C24H13ClOS.3C24H13ClS2/c25-16-7-10-24-20(13-16)19-12-15(6-9-23(19)27-24)14-5-8-22-18(11-14)17-3-1-2-4-21(17)26-22;25-20-6-3-5-17-19-13-15(9-11-23(19)27-24(17)20)14-8-10-22-18(12-14)16-4-1-2-7-21(16)26-22;25-19-5-3-7-23-24(19)18-13-15(9-11-22(18)27-23)14-8-10-21-17(12-14)16-4-1-2-6-20(16)26-21;25-16-7-10-24-20(13-16)19-12-15(6-9-23(19)27-24)14-5-8-22-18(11-14)17-3-1-2-4-21(17)26-22/h4*1-13H
InChIKeyGODLRBVVKBDZFE-UHFFFAOYSA-N
XLogP34.50
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001587.75
LogP ≤ 534.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene with MolForge

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Related Compounds

2-chloro-8-dibenzothiophen-2-yldibenzofuran
CID 147232999
3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole
CID 159391459
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
2-dibenzothiophen-4-yldibenzofuran
CID 137466632
15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 177271268
2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
CID 137466524
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428274
7-[4-(9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 142487804
7-dibenzothiophen-2-yl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 153303323
8-chloronaphtho[2,1-b][1]benzofuran;9-chloronaphtho[2,1-b][1]benzofuran;10-chloronaphtho[2,1-b][1]benzofuran;8-chloronaphtho[2,1-b][1]benzothiole;9-chloronaphtho[2,1-b][1]benzothiole;10-chloronaphtho[2,1-b][1]benzothiole
CID 165031504

Frequently Asked Questions

What is the IUPAC name of 2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene?
The IUPAC name of 2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene (CID 158314932) is 2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene.
What is the SMILES notation for 2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene?
The canonical SMILES for 2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene is Clc1ccc2sc3ccc(-c4ccc5oc6ccccc6c5c4)cc3c2c1.Clc1ccc2sc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c2c1.Clc1cccc2c1sc1ccc(-c3ccc4sc5ccccc5c4c3)cc12.Clc1cccc2sc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c12.
What is the InChIKey of 2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene?
The InChIKey is GODLRBVVKBDZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClOS.3C24H13ClS2/c25-16-7-10-24-20(13-16)19-12-15(6-9-23(19)27-24)14-5-8-22-18(11-14)17-3-1-2-4-21(17)26-22;25-20-6-3-5-17-19-13-15(9-11-23(19)27-24(17)20)14-8-10-22-18(12-14)16-4-1-2-7-21(16)26-22;25-19-5-3-7-23-24(19)18-13-15(9-11-22(18)27-23)14-8-10-21-17(12-14)16-4-1-2-6-20(16)26-21;25-16-7-10-24-20(13-16)19-12-15(6-9-23(19)27-24)14-5-8-22-18(11-14)17-3-1-2-4-21(17)26-22/h4*1-13H.
What are the key properties of 2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene?
2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene has a molecular weight of 1587.75 g/mol, XLogP of 34.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene is sourced from PubChem (CID 158314932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).