2-[(E)-2-phenylethenyl]-10H-phenothiazine

C20H15NS — CID 139233874

IUPAC2-[(E)-2-phenylethenyl]-10H-phenothiazine
SMILESC(=C/c1ccc2c(c1)Nc1ccccc1S2)\c1ccccc1
InChIInChI=1S/C20H15NS/c1-2-6-15(7-3-1)10-11-16-12-13-20-18(14-16)21-17-8-4-5-9-19(17)22-20/h1-14,21H/b11-10+
InChIKeyBXRZGVJTXOZVMF-ZHACJKMWSA-N
MW301.41 g/mol
LogP6.07
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]-10H-phenothiazine

2-[(E)-2-phenylethenyl]-10H-phenothiazine (PubChem CID 139233874) has the molecular formula C20H15NS and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-10H-phenothiazine.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-10H-phenothiazine
PubChem CID139233874
Molecular FormulaC20H15NS
Molecular Weight301.41 g/mol
Exact Mass301.09
IUPAC Name2-[(E)-2-phenylethenyl]-10H-phenothiazine
SMILESC(=C/c1ccc2c(c1)Nc1ccccc1S2)\c1ccccc1
InChIInChI=1S/C20H15NS/c1-2-6-15(7-3-1)10-11-16-12-13-20-18(14-16)21-17-8-4-5-9-19(17)22-20/h1-14,21H/b11-10+
InChIKeyBXRZGVJTXOZVMF-ZHACJKMWSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.41
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-10H-phenothiazine
CID 611628
copper;10H-phenothiazine;hydrochloride
CID 70634229
ethane;10H-phenothiazine
CID 90730014
10H-phenothiazine-2-carboxylic acid;hydrochloride
CID 142625462
boric acid;10H-phenothiazine
CID 159987394
(E)-3-[4-(diethylamino)phenyl]-1-(10H-phenothiazin-2-yl)prop-2-en-1-one
CID 19544437
12-methyl-2,9-dithia-16-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10(15),11,13,17,19-nonaen-13-amine
CID 10616877
diphenylmethanone;10H-phenothiazine
CID 175143888
10H-phenothiazine;1-phenylethenylbenzene
CID 174552079
sodium;hydride;10H-phenothiazine-2-sulfonic acid
CID 173344375
3-(7-methylthianthren-2-yl)-10H-phenothiazine
CID 175624592
6-methylidene-5H-benzo[b][1,4]benzothiazepine
CID 4227223

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-10H-phenothiazine?
The IUPAC name of 2-[(E)-2-phenylethenyl]-10H-phenothiazine (CID 139233874) is 2-[(E)-2-phenylethenyl]-10H-phenothiazine.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-10H-phenothiazine?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-10H-phenothiazine is C(=C/c1ccc2c(c1)Nc1ccccc1S2)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-10H-phenothiazine?
The InChIKey is BXRZGVJTXOZVMF-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H15NS/c1-2-6-15(7-3-1)10-11-16-12-13-20-18(14-16)21-17-8-4-5-9-19(17)22-20/h1-14,21H/b11-10+.
What are the key properties of 2-[(E)-2-phenylethenyl]-10H-phenothiazine?
2-[(E)-2-phenylethenyl]-10H-phenothiazine has a molecular weight of 301.41 g/mol, XLogP of 6.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-10H-phenothiazine is sourced from PubChem (CID 139233874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).