2-cyclohexyldibenzothiophene

C18H18S — CID 154097064

IUPAC2-cyclohexyldibenzothiophene
SMILESc1ccc2c(c1)sc1ccc(C3CCCCC3)cc12
InChIInChI=1S/C18H18S/c1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18/h4-5,8-13H,1-3,6-7H2
InChIKeyKSSFNRLJBBVWDI-UHFFFAOYSA-N
MW266.41 g/mol
LogP6.10
Rot. Bonds1

About 2-cyclohexyldibenzothiophene

2-cyclohexyldibenzothiophene (PubChem CID 154097064) has the molecular formula C18H18S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-cyclohexyldibenzothiophene.

Molecular Properties

Compound Name2-cyclohexyldibenzothiophene
PubChem CID154097064
Molecular FormulaC18H18S
Molecular Weight266.41 g/mol
Exact Mass266.11
IUPAC Name2-cyclohexyldibenzothiophene
SMILESc1ccc2c(c1)sc1ccc(C3CCCCC3)cc12
InChIInChI=1S/C18H18S/c1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18/h4-5,8-13H,1-3,6-7H2
InChIKeyKSSFNRLJBBVWDI-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.41
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-cyclohexylphenyl)dibenzothiophen-2-amine
CID 174329595
phenyl 8-cyclohexyldibenzothiophene-2-sulfonate
CID 132820197
3-cyclopentylphenanthrene
CID 173264329
N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine
CID 168810264
N-(4-cyclohexylphenyl)dibenzothiophen-4-amine
CID 137416999
2-cyclohexyldibenzofuran
CID 163628573
2-[3-(7-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triacontanyl)phenyl]dibenzothiophene
CID 140875800
N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzothiophen-2-amine
CID 168810457
5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene
CID 176726705
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 168810346
N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine
CID 168810336
N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771794

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyldibenzothiophene?
The IUPAC name of 2-cyclohexyldibenzothiophene (CID 154097064) is 2-cyclohexyldibenzothiophene.
What is the SMILES notation for 2-cyclohexyldibenzothiophene?
The canonical SMILES for 2-cyclohexyldibenzothiophene is c1ccc2c(c1)sc1ccc(C3CCCCC3)cc12.
What is the InChIKey of 2-cyclohexyldibenzothiophene?
The InChIKey is KSSFNRLJBBVWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18S/c1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18/h4-5,8-13H,1-3,6-7H2.
What are the key properties of 2-cyclohexyldibenzothiophene?
2-cyclohexyldibenzothiophene has a molecular weight of 266.41 g/mol, XLogP of 6.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyldibenzothiophene is sourced from PubChem (CID 154097064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).