10-triphenylen-2-ylphenothiazine 5,5-dioxide

C30H19NO2S — CID 141391084

IUPAC10-triphenylen-2-ylphenothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2N(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C30H19NO2S/c32-34(33)29-15-7-5-13-27(29)31(28-14-6-8-16-30(28)34)20-17-18-25-23-11-2-1-9-21(23)22-10-3-4-12-24(22)26(25)19-20/h1-19H
InChIKeyVCYSJRCTZXUWSL-UHFFFAOYSA-N
MW457.55 g/mol
LogP7.76
Rot. Bonds1

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

10-triphenylen-2-ylphenothiazine 5,5-dioxide (PubChem CID 141391084) has the molecular formula C30H19NO2S and a molecular weight of 457.55 g/mol. Its IUPAC name is 10-triphenylen-2-ylphenothiazine 5,5-dioxide.

Molecular Properties

Compound Name10-triphenylen-2-ylphenothiazine 5,5-dioxide
PubChem CID141391084
Molecular FormulaC30H19NO2S
Molecular Weight457.55 g/mol
Exact Mass457.11
IUPAC Name10-triphenylen-2-ylphenothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2N(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccccc21
InChIInChI=1S/C30H19NO2S/c32-34(33)29-15-7-5-13-27(29)31(28-14-6-8-16-30(28)34)20-17-18-25-23-11-2-1-9-21(23)22-10-3-4-12-24(22)26(25)19-20/h1-19H
InChIKeyVCYSJRCTZXUWSL-UHFFFAOYSA-N
XLogP7.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.55
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-naphthalen-2-ylphenothiazine 5,5-dioxide
CID 141391078
6-triphenylen-2-ylbenzo[c][1,2]benzothiazine 5,5-dioxide
CID 162699118
10-(11-phenotellurazin-10-yltriphenylen-2-yl)phenotellurazine
CID 144799086
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
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
2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide
CID 139574739
1-methyl-8,14-diphenyl-22-triphenylen-2-yl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 140849325
2-(9,9-dimethylacridin-10-yl)phenoxathiine 10,10-dioxide
CID 130397726
9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide
CID 140898981
1,2,3,4,6,7,8,9-octadeuterio-10-[7-(1,2,3,4,6,7,8,9-octadeuteriophenoxazin-10-yl)triphenylen-2-yl]phenoxazine
CID 121475658
1-methyl-22-triphenylen-2-yl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140849000

Frequently Asked Questions

What is the IUPAC name of 10-triphenylen-2-ylphenothiazine 5,5-dioxide?
The IUPAC name of 10-triphenylen-2-ylphenothiazine 5,5-dioxide (CID 141391084) is 10-triphenylen-2-ylphenothiazine 5,5-dioxide.
What is the SMILES notation for 10-triphenylen-2-ylphenothiazine 5,5-dioxide?
The canonical SMILES for 10-triphenylen-2-ylphenothiazine 5,5-dioxide is O=S1(=O)c2ccccc2N(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccccc21.
What is the InChIKey of 10-triphenylen-2-ylphenothiazine 5,5-dioxide?
The InChIKey is VCYSJRCTZXUWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19NO2S/c32-34(33)29-15-7-5-13-27(29)31(28-14-6-8-16-30(28)34)20-17-18-25-23-11-2-1-9-21(23)22-10-3-4-12-24(22)26(25)19-20/h1-19H.
What are the key properties of 10-triphenylen-2-ylphenothiazine 5,5-dioxide?
10-triphenylen-2-ylphenothiazine 5,5-dioxide has a molecular weight of 457.55 g/mol, XLogP of 7.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-triphenylen-2-ylphenothiazine 5,5-dioxide is sourced from PubChem (CID 141391084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).