10-naphthalen-2-ylphenothiazine 5,5-dioxide

C22H15NO2S — CID 141391078

IUPAC10-naphthalen-2-ylphenothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2N(c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C22H15NO2S/c24-26(25)21-11-5-3-9-19(21)23(20-10-4-6-12-22(20)26)18-14-13-16-7-1-2-8-17(16)15-18/h1-15H
InChIKeyYYCIEVJDBJZSEA-UHFFFAOYSA-N
MW357.43 g/mol
LogP5.46
Rot. Bonds1

About 10-naphthalen-2-ylphenothiazine 5,5-dioxide

10-naphthalen-2-ylphenothiazine 5,5-dioxide (PubChem CID 141391078) has the molecular formula C22H15NO2S and a molecular weight of 357.43 g/mol. Its IUPAC name is 10-naphthalen-2-ylphenothiazine 5,5-dioxide.

Molecular Properties

Compound Name10-naphthalen-2-ylphenothiazine 5,5-dioxide
PubChem CID141391078
Molecular FormulaC22H15NO2S
Molecular Weight357.43 g/mol
Exact Mass357.08
IUPAC Name10-naphthalen-2-ylphenothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2N(c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C22H15NO2S/c24-26(25)21-11-5-3-9-19(21)23(20-10-4-6-12-22(20)26)18-14-13-16-7-1-2-8-17(16)15-18/h1-15H
InChIKeyYYCIEVJDBJZSEA-UHFFFAOYSA-N
XLogP5.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-triphenylen-2-ylphenothiazine 5,5-dioxide
CID 141391084
10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide
CID 146533816
2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide
CID 144851825
2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide
CID 142740719
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
10-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b][1,4]benzazaborinine
CID 58511404
6,13-dinaphthalen-2-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 132869360
12-phenyl-16-(9-phenylcarbazol-3-yl)-5λ6-thia-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene 5,5-dioxide
CID 146950556
14,22-dinaphthalen-2-yl-8-oxa-14,22-diaza-1-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140848859
10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide
CID 146533671
2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide
CID 139574739
3-(2-naphthalen-2-yloxyethyl)-1,1-dioxo-1,3-benzothiazol-2-one
CID 18884383

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-ylphenothiazine 5,5-dioxide?
The IUPAC name of 10-naphthalen-2-ylphenothiazine 5,5-dioxide (CID 141391078) is 10-naphthalen-2-ylphenothiazine 5,5-dioxide.
What is the SMILES notation for 10-naphthalen-2-ylphenothiazine 5,5-dioxide?
The canonical SMILES for 10-naphthalen-2-ylphenothiazine 5,5-dioxide is O=S1(=O)c2ccccc2N(c2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of 10-naphthalen-2-ylphenothiazine 5,5-dioxide?
The InChIKey is YYCIEVJDBJZSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2S/c24-26(25)21-11-5-3-9-19(21)23(20-10-4-6-12-22(20)26)18-14-13-16-7-1-2-8-17(16)15-18/h1-15H.
What are the key properties of 10-naphthalen-2-ylphenothiazine 5,5-dioxide?
10-naphthalen-2-ylphenothiazine 5,5-dioxide has a molecular weight of 357.43 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-2-ylphenothiazine 5,5-dioxide is sourced from PubChem (CID 141391078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).