2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide

C33H25NO2S2 — CID 155244685

IUPAC2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccc4c(c3)Sc3ccccc3S4(=O)=O)cc2)c2ccccc21
InChIInChI=1S/C33H25NO2S2/c1-33(2)25-9-3-5-11-27(25)34(28-12-6-4-10-26(28)33)24-18-15-22(16-19-24)23-17-20-32-30(21-23)37-29-13-7-8-14-31(29)38(32,35)36/h3-21H,1-2H3
InChIKeyCTANMUGZTJGDBA-UHFFFAOYSA-N
MW531.70 g/mol
LogP8.76
Rot. Bonds2

About 2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide

2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide (PubChem CID 155244685) has the molecular formula C33H25NO2S2 and a molecular weight of 531.70 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide.

Molecular Properties

Compound Name2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide
PubChem CID155244685
Molecular FormulaC33H25NO2S2
Molecular Weight531.70 g/mol
Exact Mass531.13
IUPAC Name2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccc4c(c3)Sc3ccccc3S4(=O)=O)cc2)c2ccccc21
InChIInChI=1S/C33H25NO2S2/c1-33(2)25-9-3-5-11-27(25)34(28-12-6-4-10-26(28)33)24-18-15-22(16-19-24)23-17-20-32-30(21-23)37-29-13-7-8-14-31(29)38(32,35)36/h3-21H,1-2H3
InChIKeyCTANMUGZTJGDBA-UHFFFAOYSA-N
XLogP8.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.70
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(9,9-dimethylacridin-10-yl)-5,12-dihydrotetracen-2-yl]thianthrene 5,5-dioxide
CID 139335250
9,9-dimethyl-3-phenothiazin-10-ylthioxanthene 10,10-dioxide
CID 130397699
3-[5-(10,10-dioxothianthren-2-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thianthrene 5,5-dioxide
CID 130396377
2-[6-(9,9-dimethylacridin-10-yl)-9,9-dimethylxanthen-3-yl]dibenzothiophene 5,5-dioxide
CID 134579078
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
2-(9,9-dimethylacridin-10-yl)phenoxathiine 10,10-dioxide
CID 130397726
2-benzo[a]phenothiazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide
CID 139402553
2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine
CID 142356251
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
CID 130395517
2-[3-(9,9-dimethylacridin-10-yl)-5-phenothiazin-10-ylphenyl]isoindole-1,3-dione
CID 130395532
10-[4-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-yl)phenyl]-9,9-dimethylacridine
CID 146785858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide?
The IUPAC name of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide (CID 155244685) is 2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide.
What is the SMILES notation for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide?
The canonical SMILES for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide is CC1(C)c2ccccc2N(c2ccc(-c3ccc4c(c3)Sc3ccccc3S4(=O)=O)cc2)c2ccccc21.
What is the InChIKey of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide?
The InChIKey is CTANMUGZTJGDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO2S2/c1-33(2)25-9-3-5-11-27(25)34(28-12-6-4-10-26(28)33)24-18-15-22(16-19-24)23-17-20-32-30(21-23)37-29-13-7-8-14-31(29)38(32,35)36/h3-21H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide?
2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide has a molecular weight of 531.70 g/mol, XLogP of 8.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]thianthrene 5,5-dioxide is sourced from PubChem (CID 155244685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).