(Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine

C21H19NS — CID 144925961

IUPAC(Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine
SMILESN/C(=C\Cc1cccc2c1sc1ccccc12)C1=CC=CCC1
InChIInChI=1S/C21H19NS/c22-19(15-7-2-1-3-8-15)14-13-16-9-6-11-18-17-10-4-5-12-20(17)23-21(16)18/h1-2,4-7,9-12,14H,3,8,13,22H2/b19-14-
InChIKeyZOULXPUPTQMHJB-RGEXLXHISA-N
MW317.46 g/mol
LogP5.72
Rot. Bonds3

About (Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine

(Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine (PubChem CID 144925961) has the molecular formula C21H19NS and a molecular weight of 317.46 g/mol. Its IUPAC name is (Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine
PubChem CID144925961
Molecular FormulaC21H19NS
Molecular Weight317.46 g/mol
Exact Mass317.12
IUPAC Name(Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine
SMILESN/C(=C\Cc1cccc2c1sc1ccccc12)C1=CC=CCC1
InChIInChI=1S/C21H19NS/c22-19(15-7-2-1-3-8-15)14-13-16-9-6-11-18-17-10-4-5-12-20(17)23-21(16)18/h1-2,4-7,9-12,14H,3,8,13,22H2/b19-14-
InChIKeyZOULXPUPTQMHJB-RGEXLXHISA-N
XLogP5.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.46
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine?
The IUPAC name of (Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine (CID 144925961) is (Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine?
The canonical SMILES for (Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine is N/C(=C\Cc1cccc2c1sc1ccccc12)C1=CC=CCC1.
What is the InChIKey of (Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine?
The InChIKey is ZOULXPUPTQMHJB-RGEXLXHISA-N. The full InChI is InChI=1S/C21H19NS/c22-19(15-7-2-1-3-8-15)14-13-16-9-6-11-18-17-10-4-5-12-20(17)23-21(16)18/h1-2,4-7,9-12,14H,3,8,13,22H2/b19-14-.
What are the key properties of (Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine?
(Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine has a molecular weight of 317.46 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexa-1,3-dien-1-yl-3-dibenzothiophen-4-ylprop-1-en-1-amine is sourced from PubChem (CID 144925961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).