10-(4-butylphenyl)phenothiazine

C22H21NS — CID 22381652

IUPAC10-(4-butylphenyl)phenothiazine
SMILESCCCCc1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C22H21NS/c1-2-3-8-17-13-15-18(16-14-17)23-19-9-4-6-11-21(19)24-22-12-7-5-10-20(22)23/h4-7,9-16H,2-3,8H2,1H3
InChIKeyZTVPJANIAZGFLB-UHFFFAOYSA-N
MW331.48 g/mol
LogP6.96
Rot. Bonds4

About 10-(4-butylphenyl)phenothiazine

10-(4-butylphenyl)phenothiazine (PubChem CID 22381652) has the molecular formula C22H21NS and a molecular weight of 331.48 g/mol. Its IUPAC name is 10-(4-butylphenyl)phenothiazine.

Molecular Properties

Compound Name10-(4-butylphenyl)phenothiazine
PubChem CID22381652
Molecular FormulaC22H21NS
Molecular Weight331.48 g/mol
Exact Mass331.14
IUPAC Name10-(4-butylphenyl)phenothiazine
SMILESCCCCc1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C22H21NS/c1-2-3-8-17-13-15-18(16-14-17)23-19-9-4-6-11-21(19)24-22-12-7-5-10-20(22)23/h4-7,9-16H,2-3,8H2,1H3
InChIKeyZTVPJANIAZGFLB-UHFFFAOYSA-N
XLogP6.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.48
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-(4-butylphenyl)-N-[4-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]phenyl]aniline
CID 59850661
N,N-diethyl-4-phenothiazin-10-ylaniline
CID 86145082
10-butylphenothiazine;propane
CID 177020956
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
1-butyl-4-nonylbenzene
CID 59545302
2-butyl-5-iodo-4,6-di(phenothiazin-10-yl)benzene-1,3-dicarbonitrile
CID 170275415
1-(4-butylphenyl)-3,4-diiodopyrrole-2,5-dione
CID 100958944
2-(4-butylphenyl)-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 23991028
1-[3-methyl-4-(2-methyl-4-phenothiazin-10-ylphenyl)phenyl]pentan-1-one
CID 140927748
16-(4-butylphenyl)-12,12,20,20-tetrakis(4-hexylphenyl)-2-oxa-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 58370968
2-(4-dodecylphenyl)benzo[f]isoindole-1,3-dione
CID 101031398
(5Z)-3-(4-butylphenyl)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837134

Frequently Asked Questions

What is the IUPAC name of 10-(4-butylphenyl)phenothiazine?
The IUPAC name of 10-(4-butylphenyl)phenothiazine (CID 22381652) is 10-(4-butylphenyl)phenothiazine.
What is the SMILES notation for 10-(4-butylphenyl)phenothiazine?
The canonical SMILES for 10-(4-butylphenyl)phenothiazine is CCCCc1ccc(N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 10-(4-butylphenyl)phenothiazine?
The InChIKey is ZTVPJANIAZGFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NS/c1-2-3-8-17-13-15-18(16-14-17)23-19-9-4-6-11-21(19)24-22-12-7-5-10-20(22)23/h4-7,9-16H,2-3,8H2,1H3.
What are the key properties of 10-(4-butylphenyl)phenothiazine?
10-(4-butylphenyl)phenothiazine has a molecular weight of 331.48 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-butylphenyl)phenothiazine is sourced from PubChem (CID 22381652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).