7-(4-chlorophenyl)-2-ethyldibenzothiophene

C20H15ClS — CID 164852807

IUPAC7-(4-chlorophenyl)-2-ethyldibenzothiophene
SMILESCCc1ccc2sc3cc(-c4ccc(Cl)cc4)ccc3c2c1
InChIInChI=1S/C20H15ClS/c1-2-13-3-10-19-18(11-13)17-9-6-15(12-20(17)22-19)14-4-7-16(21)8-5-14/h3-12H,2H2,1H3
InChIKeyFLKIFJMAURMADI-UHFFFAOYSA-N
MW322.86 g/mol
LogP6.94
Rot. Bonds2

About 7-(4-chlorophenyl)-2-ethyldibenzothiophene

7-(4-chlorophenyl)-2-ethyldibenzothiophene (PubChem CID 164852807) has the molecular formula C20H15ClS and a molecular weight of 322.86 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-ethyldibenzothiophene.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-ethyldibenzothiophene
PubChem CID164852807
Molecular FormulaC20H15ClS
Molecular Weight322.86 g/mol
Exact Mass322.06
IUPAC Name7-(4-chlorophenyl)-2-ethyldibenzothiophene
SMILESCCc1ccc2sc3cc(-c4ccc(Cl)cc4)ccc3c2c1
InChIInChI=1S/C20H15ClS/c1-2-13-3-10-19-18(11-13)17-9-6-15(12-20(17)22-19)14-4-7-16(21)8-5-14/h3-12H,2H2,1H3
InChIKeyFLKIFJMAURMADI-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.86
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943
3-ethyl-7-propyldibenzothiophene
CID 135251711
7-ethyl-17-phenyl-3,11-dithiapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
CID 134295294
3-[4-(2-methylpropyl)phenyl]dibenzothiophene
CID 170134623
2-(4-chlorophenyl)-7-ethyl-9,10-dihydrophenanthrene
CID 139883299
7-chlorodibenzothiophen-2-amine
CID 21439881
N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine
CID 146588785
9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole
CID 90372125
(4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane
CID 141320991
1-chloro-4-[2-(4-ethylphenyl)phenyl]benzene
CID 166659313
20-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 155006729
2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-ethyldibenzothiophene?
The IUPAC name of 7-(4-chlorophenyl)-2-ethyldibenzothiophene (CID 164852807) is 7-(4-chlorophenyl)-2-ethyldibenzothiophene.
What is the SMILES notation for 7-(4-chlorophenyl)-2-ethyldibenzothiophene?
The canonical SMILES for 7-(4-chlorophenyl)-2-ethyldibenzothiophene is CCc1ccc2sc3cc(-c4ccc(Cl)cc4)ccc3c2c1.
What is the InChIKey of 7-(4-chlorophenyl)-2-ethyldibenzothiophene?
The InChIKey is FLKIFJMAURMADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClS/c1-2-13-3-10-19-18(11-13)17-9-6-15(12-20(17)22-19)14-4-7-16(21)8-5-14/h3-12H,2H2,1H3.
What are the key properties of 7-(4-chlorophenyl)-2-ethyldibenzothiophene?
7-(4-chlorophenyl)-2-ethyldibenzothiophene has a molecular weight of 322.86 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-ethyldibenzothiophene is sourced from PubChem (CID 164852807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).