10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine

C25H23NS — CID 170720846

IUPAC10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine
SMILESC=C/C=C(\C=C)C(c1ccccc1)N1C2=CCCC=C2Sc2ccccc21
InChIInChI=1S/C25H23NS/c1-3-12-19(4-2)25(20-13-6-5-7-14-20)26-21-15-8-10-17-23(21)27-24-18-11-9-16-22(24)26/h3-8,10,12-18,25H,1-2,9,11H2/b19-12+
InChIKeyCZIHESSESSMFML-XDHOZWIPSA-N
MW369.53 g/mol
LogP7.20
Rot. Bonds5

About 10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine

10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine (PubChem CID 170720846) has the molecular formula C25H23NS and a molecular weight of 369.53 g/mol. Its IUPAC name is 10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine.

Molecular Properties

Compound Name10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine
PubChem CID170720846
Molecular FormulaC25H23NS
Molecular Weight369.53 g/mol
Exact Mass369.16
IUPAC Name10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine
SMILESC=C/C=C(\C=C)C(c1ccccc1)N1C2=CCCC=C2Sc2ccccc21
InChIInChI=1S/C25H23NS/c1-3-12-19(4-2)25(20-13-6-5-7-14-20)26-21-15-8-10-17-23(21)27-24-18-11-9-16-22(24)26/h3-8,10,12-18,25H,1-2,9,11H2/b19-12+
InChIKeyCZIHESSESSMFML-XDHOZWIPSA-N
XLogP7.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trifluoperazine
CID 5566
Promethazine
CID 4927
(+-)-Trimeprazine
CID 5574
Promazine
CID 4926
Triflupromazine
CID 5568
Mequitazine
CID 4066
Promethazine Hydrochloride
CID 6014
Perazine
CID 4744
Methdilazine
CID 14677
Cyamemazine
CID 62865
10-(2-(1-Pyrrolidinyl)ethyl)-10H-phenothiazine
CID 10646
(+-)-Ethopropazine
CID 3290

Frequently Asked Questions

What is the IUPAC name of 10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine?
The IUPAC name of 10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine (CID 170720846) is 10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine.
What is the SMILES notation for 10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine?
The canonical SMILES for 10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine is C=C/C=C(\C=C)C(c1ccccc1)N1C2=CCCC=C2Sc2ccccc21.
What is the InChIKey of 10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine?
The InChIKey is CZIHESSESSMFML-XDHOZWIPSA-N. The full InChI is InChI=1S/C25H23NS/c1-3-12-19(4-2)25(20-13-6-5-7-14-20)26-21-15-8-10-17-23(21)27-24-18-11-9-16-22(24)26/h3-8,10,12-18,25H,1-2,9,11H2/b19-12+.
What are the key properties of 10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine?
10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine has a molecular weight of 369.53 g/mol, XLogP of 7.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-2,3-dihydrophenothiazine is sourced from PubChem (CID 170720846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).