N-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline

C24H21NS — CID 144868549

IUPACN-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline
SMILESC=C(c1ccccc1NC)c1ccc2sc3ccccc3c2c1/C=C\C
InChIInChI=1S/C24H21NS/c1-4-9-19-17(16(2)18-10-5-7-12-21(18)25-3)14-15-23-24(19)20-11-6-8-13-22(20)26-23/h4-15,25H,2H2,1,3H3/b9-4-
InChIKeyDRYVLHPUYRSBML-WTKPLQERSA-N
MW355.51 g/mol
LogP7.19
Rot. Bonds4

About N-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline

N-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline (PubChem CID 144868549) has the molecular formula C24H21NS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline.

Molecular Properties

Compound NameN-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline
PubChem CID144868549
Molecular FormulaC24H21NS
Molecular Weight355.51 g/mol
Exact Mass355.14
IUPAC NameN-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline
SMILESC=C(c1ccccc1NC)c1ccc2sc3ccccc3c2c1/C=C\C
InChIInChI=1S/C24H21NS/c1-4-9-19-17(16(2)18-10-5-7-12-21(18)25-3)14-15-23-24(19)20-11-6-8-13-22(20)26-23/h4-15,25H,2H2,1,3H3/b9-4-
InChIKeyDRYVLHPUYRSBML-WTKPLQERSA-N
XLogP7.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.51
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;[2-ethenyl-1-[(Z)-prop-1-enyl]dibenzothiophen-3-yl]boronic acid
CID 145148588
2-(dibenzothiophene-3-carboximidoyl)-N-methylaniline
CID 166722843
1-[2-(methylamino)phenyl]ethenethiol
CID 142076498
1-methyldibenzothiophene
CID 23839
N-[(E)-[2-[(E)-prop-1-enyl]-1-benzothiophen-3-yl]methylideneamino]methanamine
CID 53232185
1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371
N-phenyldibenzothiophen-1-amine
CID 126538366
2-[1-[amino-[(E)-but-2-enyl]amino]ethenyl]-N-methylaniline
CID 139471899
(E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 145017001
ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 142106352
N-methyldibenzothiophen-2-amine
CID 138617905
bis(dibenzothiophene);ethane
CID 143921746

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline?
The IUPAC name of N-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline (CID 144868549) is N-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline.
What is the SMILES notation for N-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline?
The canonical SMILES for N-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline is C=C(c1ccccc1NC)c1ccc2sc3ccccc3c2c1/C=C\C.
What is the InChIKey of N-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline?
The InChIKey is DRYVLHPUYRSBML-WTKPLQERSA-N. The full InChI is InChI=1S/C24H21NS/c1-4-9-19-17(16(2)18-10-5-7-12-21(18)25-3)14-15-23-24(19)20-11-6-8-13-22(20)26-23/h4-15,25H,2H2,1,3H3/b9-4-.
What are the key properties of N-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline?
N-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline has a molecular weight of 355.51 g/mol, XLogP of 7.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[1-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]ethenyl]aniline is sourced from PubChem (CID 144868549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).