N-(4-cyclohexylphenyl)dibenzothiophen-2-amine

C24H23NS — CID 174329595

IUPACN-(4-cyclohexylphenyl)dibenzothiophen-2-amine
SMILESc1ccc2c(c1)sc1ccc(Nc3ccc(C4CCCCC4)cc3)cc12
InChIInChI=1S/C24H23NS/c1-2-6-17(7-3-1)18-10-12-19(13-11-18)25-20-14-15-24-22(16-20)21-8-4-5-9-23(21)26-24/h4-5,8-17,25H,1-3,6-7H2
InChIKeyCBDOGGXAYLEAMS-UHFFFAOYSA-N
MW357.52 g/mol
LogP7.85
Rot. Bonds3

About N-(4-cyclohexylphenyl)dibenzothiophen-2-amine

N-(4-cyclohexylphenyl)dibenzothiophen-2-amine (PubChem CID 174329595) has the molecular formula C24H23NS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)dibenzothiophen-2-amine
PubChem CID174329595
Molecular FormulaC24H23NS
Molecular Weight357.52 g/mol
Exact Mass357.16
IUPAC NameN-(4-cyclohexylphenyl)dibenzothiophen-2-amine
SMILESc1ccc2c(c1)sc1ccc(Nc3ccc(C4CCCCC4)cc3)cc12
InChIInChI=1S/C24H23NS/c1-2-6-17(7-3-1)18-10-12-19(13-11-18)25-20-14-15-24-22(16-20)21-8-4-5-9-23(21)26-24/h4-5,8-17,25H,1-3,6-7H2
InChIKeyCBDOGGXAYLEAMS-UHFFFAOYSA-N
XLogP7.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyldibenzothiophene
CID 154097064
N-(4-cyclohexylphenyl)dibenzothiophen-4-amine
CID 137416999
N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline
CID 171439106
3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine
CID 139380088
N-(4-cyclohexylphenyl)-3-fluoroaniline
CID 166048926
N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine
CID 126621948
N-methyldibenzothiophen-2-amine
CID 138617905
N-(4-cyclohexylphenyl)-3-(4-phenylnaphthalen-2-yl)aniline
CID 170418074
1-N-dibenzothiophen-2-yl-3-N,3-N-diphenylbenzene-1,3-diamine
CID 122666295
N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine
CID 168810264
N-dibenzothiophen-3-ylpyridin-4-amine
CID 137471578
N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine
CID 22024188

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(4-cyclohexylphenyl)dibenzothiophen-2-amine (CID 174329595) is N-(4-cyclohexylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)dibenzothiophen-2-amine is c1ccc2c(c1)sc1ccc(Nc3ccc(C4CCCCC4)cc3)cc12.
What is the InChIKey of N-(4-cyclohexylphenyl)dibenzothiophen-2-amine?
The InChIKey is CBDOGGXAYLEAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NS/c1-2-6-17(7-3-1)18-10-12-19(13-11-18)25-20-14-15-24-22(16-20)21-8-4-5-9-23(21)26-24/h4-5,8-17,25H,1-3,6-7H2.
What are the key properties of N-(4-cyclohexylphenyl)dibenzothiophen-2-amine?
N-(4-cyclohexylphenyl)dibenzothiophen-2-amine has a molecular weight of 357.52 g/mol, XLogP of 7.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 174329595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).