9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide

C50H35NO2S — CID 140898981

IUPAC9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide
SMILESO=S1(=O)c2ccccc2C(c2ccccc2)(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2N3c2ccccc2)c2ccccc21
InChIInChI=1S/C50H35NO2S/c52-54(53)47-31-17-14-28-42(47)50(38-23-9-3-10-24-38,43-29-15-18-32-48(43)54)39-33-34-46-44(35-39)49(36-19-5-1-6-20-36,37-21-7-2-8-22-37)41-27-13-16-30-45(41)51(46)40-25-11-4-12-26-40/h1-35H
InChIKeyFLOVVHTXDGURHU-UHFFFAOYSA-N
MW713.90 g/mol
LogP11.38
Rot. Bonds5

About 9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide

9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide (PubChem CID 140898981) has the molecular formula C50H35NO2S and a molecular weight of 713.90 g/mol. Its IUPAC name is 9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide.

Molecular Properties

Compound Name9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide
PubChem CID140898981
Molecular FormulaC50H35NO2S
Molecular Weight713.90 g/mol
Exact Mass713.24
IUPAC Name9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide
SMILESO=S1(=O)c2ccccc2C(c2ccccc2)(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2N3c2ccccc2)c2ccccc21
InChIInChI=1S/C50H35NO2S/c52-54(53)47-31-17-14-28-42(47)50(38-23-9-3-10-24-38,43-29-15-18-32-48(43)54)39-33-34-46-44(35-39)49(36-19-5-1-6-20-36,37-21-7-2-8-22-37)41-27-13-16-30-45(41)51(46)40-25-11-4-12-26-40/h1-35H
InChIKeyFLOVVHTXDGURHU-UHFFFAOYSA-N
XLogP11.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.90
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide
CID 142740719
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide
CID 139574739
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]
CID 140899042
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-[5-(10,10-dioxophenoxathiin-2-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]phenoxathiine 10,10-dioxide
CID 130396372
10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide
CID 140938168
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide
CID 134317366

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide?
The IUPAC name of 9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide (CID 140898981) is 9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide.
What is the SMILES notation for 9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide?
The canonical SMILES for 9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide is O=S1(=O)c2ccccc2C(c2ccccc2)(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2N3c2ccccc2)c2ccccc21.
What is the InChIKey of 9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide?
The InChIKey is FLOVVHTXDGURHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO2S/c52-54(53)47-31-17-14-28-42(47)50(38-23-9-3-10-24-38,43-29-15-18-32-48(43)54)39-33-34-46-44(35-39)49(36-19-5-1-6-20-36,37-21-7-2-8-22-37)41-27-13-16-30-45(41)51(46)40-25-11-4-12-26-40/h1-35H.
What are the key properties of 9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide?
9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide has a molecular weight of 713.90 g/mol, XLogP of 11.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide is sourced from PubChem (CID 140898981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).