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

C24H23NS — CID 137416999

IUPACN-(4-cyclohexylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)sc1c(Nc3ccc(C4CCCCC4)cc3)cccc12
InChIInChI=1S/C24H23NS/c1-2-7-17(8-3-1)18-13-15-19(16-14-18)25-22-11-6-10-21-20-9-4-5-12-23(20)26-24(21)22/h4-6,9-17,25H,1-3,7-8H2
InChIKeyWDHNFESWRGZDCX-UHFFFAOYSA-N
MW357.52 g/mol
LogP7.85
Rot. Bonds3

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

N-(4-cyclohexylphenyl)dibenzothiophen-4-amine (PubChem CID 137416999) has the molecular formula C24H23NS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)dibenzothiophen-4-amine
PubChem CID137416999
Molecular FormulaC24H23NS
Molecular Weight357.52 g/mol
Exact Mass357.16
IUPAC NameN-(4-cyclohexylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)sc1c(Nc3ccc(C4CCCCC4)cc3)cccc12
InChIInChI=1S/C24H23NS/c1-2-7-17(8-3-1)18-13-15-19(16-14-18)25-22-11-6-10-21-20-9-4-5-12-23(20)26-24(21)22/h4-6,9-17,25H,1-3,7-8H2
InChIKeyWDHNFESWRGZDCX-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

N-(4-cyclohexylphenyl)dibenzothiophen-2-amine
CID 174329595
N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 177286416
2-cyclohexyldibenzothiophene
CID 154097064
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113837
N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535
N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine
CID 129082368
N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline
CID 171439106
N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine;1-bromo-4-cyclohexylbenzene;dibenzothiophen-4-amine
CID 159308750
N-pyren-1-yldibenzothiophen-4-amine
CID 137457081
N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine
CID 160564474
4-cyclopropyldibenzothiophene
CID 54752889
N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 175616007

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(4-cyclohexylphenyl)dibenzothiophen-4-amine (CID 137416999) is N-(4-cyclohexylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)dibenzothiophen-4-amine is c1ccc2c(c1)sc1c(Nc3ccc(C4CCCCC4)cc3)cccc12.
What is the InChIKey of N-(4-cyclohexylphenyl)dibenzothiophen-4-amine?
The InChIKey is WDHNFESWRGZDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NS/c1-2-7-17(8-3-1)18-13-15-19(16-14-18)25-22-11-6-10-21-20-9-4-5-12-23(20)26-24(21)22/h4-6,9-17,25H,1-3,7-8H2.
What are the key properties of N-(4-cyclohexylphenyl)dibenzothiophen-4-amine?
N-(4-cyclohexylphenyl)dibenzothiophen-4-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-4-amine is sourced from PubChem (CID 137416999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).