1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene

C30H17ClS2 — CID 176824680

IUPAC1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene
SMILESClc1ccc(-c2ccccc2-c2cccc3c2sc2ccccc23)c2sc3ccccc3c12
InChIInChI=1S/C30H17ClS2/c31-25-17-16-23(30-28(25)24-11-4-6-15-27(24)33-30)19-9-2-1-8-18(19)21-12-7-13-22-20-10-3-5-14-26(20)32-29(21)22/h1-17H
InChIKeyWVRQKSQILCFRQL-UHFFFAOYSA-N
MW477.05 g/mol
LogP10.41
Rot. Bonds2

About 1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene

1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene (PubChem CID 176824680) has the molecular formula C30H17ClS2 and a molecular weight of 477.05 g/mol. Its IUPAC name is 1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene.

Molecular Properties

Compound Name1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene
PubChem CID176824680
Molecular FormulaC30H17ClS2
Molecular Weight477.05 g/mol
Exact Mass476.05
IUPAC Name1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene
SMILESClc1ccc(-c2ccccc2-c2cccc3c2sc2ccccc23)c2sc3ccccc3c12
InChIInChI=1S/C30H17ClS2/c31-25-17-16-23(30-28(25)24-11-4-6-15-27(24)33-30)19-9-2-1-8-18(19)21-12-7-13-22-20-10-3-5-14-26(20)32-29(21)22/h1-17H
InChIKeyWVRQKSQILCFRQL-UHFFFAOYSA-N
XLogP10.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.05
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromo-3-chlorophenyl)dibenzothiophene
CID 129023068
4-(4-chloro-2-phenylphenyl)dibenzothiophene
CID 139338092
4-[10-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)anthracen-9-yl]dibenzothiophene
CID 155475534
4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene]
CID 166844661
1-chloro-4-(3-dibenzothiophen-4-ylphenyl)dibenzofuran
CID 176824741
4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene
CID 139338091
2-dibenzothiophen-4-ylaniline
CID 58050240
4-[5-tert-butyl-2-(4-tert-butyl-2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 66684505
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2,5-bis(2-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole
CID 70332107
4-(3-chlorophenyl)dibenzothiophene
CID 118232411
12-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177297894

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene?
The IUPAC name of 1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene (CID 176824680) is 1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene.
What is the SMILES notation for 1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene?
The canonical SMILES for 1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene is Clc1ccc(-c2ccccc2-c2cccc3c2sc2ccccc23)c2sc3ccccc3c12.
What is the InChIKey of 1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene?
The InChIKey is WVRQKSQILCFRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17ClS2/c31-25-17-16-23(30-28(25)24-11-4-6-15-27(24)33-30)19-9-2-1-8-18(19)21-12-7-13-22-20-10-3-5-14-26(20)32-29(21)22/h1-17H.
What are the key properties of 1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene?
1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene has a molecular weight of 477.05 g/mol, XLogP of 10.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene is sourced from PubChem (CID 176824680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).