10-[2-(3-ethenylphenyl)ethyl]phenothiazine

C22H19NS — CID 90842079

IUPAC10-[2-(3-ethenylphenyl)ethyl]phenothiazine
SMILESC=Cc1cccc(CCN2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C22H19NS/c1-2-17-8-7-9-18(16-17)14-15-23-19-10-3-5-12-21(19)24-22-13-6-4-11-20(22)23/h2-13,16H,1,14-15H2
InChIKeyZBRSOUGEYTZPHI-UHFFFAOYSA-N
MW329.47 g/mol
LogP6.18
Rot. Bonds4

About 10-[2-(3-ethenylphenyl)ethyl]phenothiazine

10-[2-(3-ethenylphenyl)ethyl]phenothiazine (PubChem CID 90842079) has the molecular formula C22H19NS and a molecular weight of 329.47 g/mol. Its IUPAC name is 10-[2-(3-ethenylphenyl)ethyl]phenothiazine.

Molecular Properties

Compound Name10-[2-(3-ethenylphenyl)ethyl]phenothiazine
PubChem CID90842079
Molecular FormulaC22H19NS
Molecular Weight329.47 g/mol
Exact Mass329.12
IUPAC Name10-[2-(3-ethenylphenyl)ethyl]phenothiazine
SMILESC=Cc1cccc(CCN2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C22H19NS/c1-2-17-8-7-9-18(16-17)14-15-23-19-10-3-5-12-21(19)24-22-13-6-4-11-20(22)23/h2-13,16H,1,14-15H2
InChIKeyZBRSOUGEYTZPHI-UHFFFAOYSA-N
XLogP6.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.47
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

10-(2-phenylethyl)phenothiazine
CID 4594348
10-(2-pyridin-3-ylethyl)phenothiazine
CID 134853152
sodium 3-(2-ethenylphenothiazin-10-yl)propane-1-sulfonate
CID 139603623
1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene
CID 175399717
10-(2-thiophen-2-ylethyl)phenothiazine
CID 134853153
1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene
CID 91200175
3-phenothiazin-10-ylpropan-1-amine
CID 11079240
3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
CID 163912126
3-[(E)-2-(6-ethenyl-10-octylphenothiazin-3-yl)ethenyl]-10-octyl-7-[(E)-2-(10-octylphenothiazin-3-yl)ethenyl]phenothiazine
CID 101433106
1-ethenyl-3-(phenylmethoxymethyl)benzene
CID 10443616
10-butylphenothiazine;propane
CID 177020956
10-(4-bromobutyl)phenothiazine
CID 14549797

Frequently Asked Questions

What is the IUPAC name of 10-[2-(3-ethenylphenyl)ethyl]phenothiazine?
The IUPAC name of 10-[2-(3-ethenylphenyl)ethyl]phenothiazine (CID 90842079) is 10-[2-(3-ethenylphenyl)ethyl]phenothiazine.
What is the SMILES notation for 10-[2-(3-ethenylphenyl)ethyl]phenothiazine?
The canonical SMILES for 10-[2-(3-ethenylphenyl)ethyl]phenothiazine is C=Cc1cccc(CCN2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of 10-[2-(3-ethenylphenyl)ethyl]phenothiazine?
The InChIKey is ZBRSOUGEYTZPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NS/c1-2-17-8-7-9-18(16-17)14-15-23-19-10-3-5-12-21(19)24-22-13-6-4-11-20(22)23/h2-13,16H,1,14-15H2.
What are the key properties of 10-[2-(3-ethenylphenyl)ethyl]phenothiazine?
10-[2-(3-ethenylphenyl)ethyl]phenothiazine has a molecular weight of 329.47 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(3-ethenylphenyl)ethyl]phenothiazine is sourced from PubChem (CID 90842079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).