(4-phenylphenyl) phenothiazine-10-carboxylate

C25H17NO2S — CID 24905657

IUPAC(4-phenylphenyl) phenothiazine-10-carboxylate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C25H17NO2S/c27-25(28-20-16-14-19(15-17-20)18-8-2-1-3-9-18)26-21-10-4-6-12-23(21)29-24-13-7-5-11-22(24)26/h1-17H
InChIKeyYPUYAAOGGLHLLJ-UHFFFAOYSA-N
MW395.48 g/mol
LogP7.16
Rot. Bonds2

About (4-phenylphenyl) phenothiazine-10-carboxylate

(4-phenylphenyl) phenothiazine-10-carboxylate (PubChem CID 24905657) has the molecular formula C25H17NO2S and a molecular weight of 395.48 g/mol. Its IUPAC name is (4-phenylphenyl) phenothiazine-10-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl) phenothiazine-10-carboxylate
PubChem CID24905657
Molecular FormulaC25H17NO2S
Molecular Weight395.48 g/mol
Exact Mass395.10
IUPAC Name(4-phenylphenyl) phenothiazine-10-carboxylate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C25H17NO2S/c27-25(28-20-16-14-19(15-17-20)18-8-2-1-3-9-18)26-21-10-4-6-12-23(21)29-24-13-7-5-11-22(24)26/h1-17H
InChIKeyYPUYAAOGGLHLLJ-UHFFFAOYSA-N
XLogP7.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10H-Phenothiazine, 10-((2-naphthalenyloxy)acetyl)-
CID 1350746
Phenyl 10H-phenothiazine-10-carboxylate
CID 3773589
naphthalen-1-yl 10H-phenothiazine-10-carboxylate
CID 16645664
o-tolyl 10H-phenothiazine-10-carboxylate
CID 24905592
naphthalen-2-yl 10H-phenothiazine-10-carboxylate
CID 24905710
p-tolyl 10H-phenothiazine-10-carboxylate
CID 24905594
4-methoxyphenyl 10H-phenothiazine-10-carboxylate
CID 24905597
2-[1-(4-phenylmethoxyphenyl)ethyl]-10H-phenothiazine
CID 141531501
m-tolyl 10H-phenothiazine-10-carboxylate
CID 24905593
2-tert-butylphenyl 10H-phenothiazine-10-carboxylate
CID 24905655
2-[1-(4-methoxyphenyl)ethenyl]-10H-phenothiazine
CID 168292157
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-3-phenothiazin-10-ylpropan-1-amine
CID 137527041

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) phenothiazine-10-carboxylate?
The IUPAC name of (4-phenylphenyl) phenothiazine-10-carboxylate (CID 24905657) is (4-phenylphenyl) phenothiazine-10-carboxylate.
What is the SMILES notation for (4-phenylphenyl) phenothiazine-10-carboxylate?
The canonical SMILES for (4-phenylphenyl) phenothiazine-10-carboxylate is O=C(Oc1ccc(-c2ccccc2)cc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (4-phenylphenyl) phenothiazine-10-carboxylate?
The InChIKey is YPUYAAOGGLHLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO2S/c27-25(28-20-16-14-19(15-17-20)18-8-2-1-3-9-18)26-21-10-4-6-12-23(21)29-24-13-7-5-11-22(24)26/h1-17H.
What are the key properties of (4-phenylphenyl) phenothiazine-10-carboxylate?
(4-phenylphenyl) phenothiazine-10-carboxylate has a molecular weight of 395.48 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) phenothiazine-10-carboxylate is sourced from PubChem (CID 24905657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).