6-chloro-1-(2-phenylphenyl)dibenzothiophene

C24H15ClS — CID 176630481

IUPAC6-chloro-1-(2-phenylphenyl)dibenzothiophene
SMILESClc1cccc2c1sc1cccc(-c3ccccc3-c3ccccc3)c12
InChIInChI=1S/C24H15ClS/c25-21-14-6-13-20-23-19(12-7-15-22(23)26-24(20)21)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-15H
InChIKeyPCSODLSWLCIEHD-UHFFFAOYSA-N
MW370.90 g/mol
LogP8.04
Rot. Bonds2

About 6-chloro-1-(2-phenylphenyl)dibenzothiophene

6-chloro-1-(2-phenylphenyl)dibenzothiophene (PubChem CID 176630481) has the molecular formula C24H15ClS and a molecular weight of 370.90 g/mol. Its IUPAC name is 6-chloro-1-(2-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name6-chloro-1-(2-phenylphenyl)dibenzothiophene
PubChem CID176630481
Molecular FormulaC24H15ClS
Molecular Weight370.90 g/mol
Exact Mass370.06
IUPAC Name6-chloro-1-(2-phenylphenyl)dibenzothiophene
SMILESClc1cccc2c1sc1cccc(-c3ccccc3-c3ccccc3)c12
InChIInChI=1S/C24H15ClS/c25-21-14-6-13-20-23-19(12-7-15-22(23)26-24(20)21)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-15H
InChIKeyPCSODLSWLCIEHD-UHFFFAOYSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.90
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-phenyl-3,11,19-trithiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 66661576
6-phenyldibenzothiophen-1-amine
CID 154950359
1-phenyldibenzothiophene;hydrobromide
CID 174679709
4-(4-chloro-2-phenylphenyl)dibenzothiophene
CID 139338092
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848106
20-(10-phenylanthracen-9-yl)-23-thiahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaene
CID 158596469
N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 168791054
1,3,6-trichlorodibenzothiophene
CID 527120
1,4-diphenyldibenzothiophene
CID 145331773
9-chlorodibenzothiophen-4-ol
CID 166591681

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-phenylphenyl)dibenzothiophene?
The IUPAC name of 6-chloro-1-(2-phenylphenyl)dibenzothiophene (CID 176630481) is 6-chloro-1-(2-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 6-chloro-1-(2-phenylphenyl)dibenzothiophene?
The canonical SMILES for 6-chloro-1-(2-phenylphenyl)dibenzothiophene is Clc1cccc2c1sc1cccc(-c3ccccc3-c3ccccc3)c12.
What is the InChIKey of 6-chloro-1-(2-phenylphenyl)dibenzothiophene?
The InChIKey is PCSODLSWLCIEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClS/c25-21-14-6-13-20-23-19(12-7-15-22(23)26-24(20)21)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-15H.
What are the key properties of 6-chloro-1-(2-phenylphenyl)dibenzothiophene?
6-chloro-1-(2-phenylphenyl)dibenzothiophene has a molecular weight of 370.90 g/mol, XLogP of 8.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 176630481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).