6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine

C27H29NS — CID 134528063

IUPAC6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine
SMILESCCc1ccccc1N(C)c1cccc2c1sc1c(C3CCCCC3)cccc12
InChIInChI=1S/C27H29NS/c1-3-19-11-7-8-17-24(19)28(2)25-18-10-16-23-22-15-9-14-21(26(22)29-27(23)25)20-12-5-4-6-13-20/h7-11,14-18,20H,3-6,12-13H2,1-2H3
InChIKeyGFCFJEMOBKKNHH-UHFFFAOYSA-N
MW399.60 g/mol
LogP8.43
Rot. Bonds4

About 6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine

6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine (PubChem CID 134528063) has the molecular formula C27H29NS and a molecular weight of 399.60 g/mol. Its IUPAC name is 6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine
PubChem CID134528063
Molecular FormulaC27H29NS
Molecular Weight399.60 g/mol
Exact Mass399.20
IUPAC Name6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine
SMILESCCc1ccccc1N(C)c1cccc2c1sc1c(C3CCCCC3)cccc12
InChIInChI=1S/C27H29NS/c1-3-19-11-7-8-17-24(19)28(2)25-18-10-16-23-22-15-9-14-21(26(22)29-27(23)25)20-12-5-4-6-13-20/h7-11,14-18,20H,3-6,12-13H2,1-2H3
InChIKeyGFCFJEMOBKKNHH-UHFFFAOYSA-N
XLogP8.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.60
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine?
The IUPAC name of 6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine (CID 134528063) is 6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine.
What is the SMILES notation for 6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine?
The canonical SMILES for 6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine is CCc1ccccc1N(C)c1cccc2c1sc1c(C3CCCCC3)cccc12.
What is the InChIKey of 6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine?
The InChIKey is GFCFJEMOBKKNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NS/c1-3-19-11-7-8-17-24(19)28(2)25-18-10-16-23-22-15-9-14-21(26(22)29-27(23)25)20-12-5-4-6-13-20/h7-11,14-18,20H,3-6,12-13H2,1-2H3.
What are the key properties of 6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine?
6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine has a molecular weight of 399.60 g/mol, XLogP of 8.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine is sourced from PubChem (CID 134528063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).