ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one

C47H35NO4S — CID 161285651

IUPACethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one
SMILESCC.O=c1c2ccccc2n(-c2ccccc2)c2ccccc12.O=c1c2ccccc2oc2ccccc12.O=c1c2ccccc2sc2ccccc12
InChIInChI=1S/C19H13NO.C13H8O2.C13H8OS.C2H6/c21-19-15-10-4-6-12-17(15)20(14-8-2-1-3-9-14)18-13-7-5-11-16(18)19;2*14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-2/h1-13H;2*1-8H;1-2H3
InChIKeyVFRJMDMVSZXGOK-UHFFFAOYSA-N
MW709.87 g/mol
LogP11.53
Rot. Bonds1

About ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one

ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one (PubChem CID 161285651) has the molecular formula C47H35NO4S and a molecular weight of 709.87 g/mol. Its IUPAC name is ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one.

Molecular Properties

Compound Nameethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one
PubChem CID161285651
Molecular FormulaC47H35NO4S
Molecular Weight709.87 g/mol
Exact Mass709.23
IUPAC Nameethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one
SMILESCC.O=c1c2ccccc2n(-c2ccccc2)c2ccccc12.O=c1c2ccccc2oc2ccccc12.O=c1c2ccccc2sc2ccccc12
InChIInChI=1S/C19H13NO.C13H8O2.C13H8OS.C2H6/c21-19-15-10-4-6-12-17(15)20(14-8-2-1-3-9-14)18-13-7-5-11-16(18)19;2*14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-2/h1-13H;2*1-8H;1-2H3
InChIKeyVFRJMDMVSZXGOK-UHFFFAOYSA-N
XLogP11.53
TPSA69.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.87
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole
CID 167619791
dibenzothiophene;9-phenylcarbazole
CID 142415981
2-[14-(9-oxothioxanthen-2-yl)-[1,4]benzoxazino[2,3-b]phenoxazin-7-yl]thioxanthen-9-one
CID 130396383
3-[14-(9-oxoxanthen-3-yl)-[1,4]benzothiazino[2,3-b]phenothiazin-7-yl]xanthen-9-one
CID 130396337
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
2,7-bis(9-phenylcarbazol-3-yl)thioxanthen-9-one
CID 167425338
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
5,11-diphenylindolo[3,2-b]carbazole;11-methyl-[1]benzofuro[3,2-b]carbazole;5-methyl-11-phenylindolo[3,2-b]carbazole;11-phenyl-[1]benzofuro[3,2-b]carbazole;11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 158354854
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009360
3-dibenzofuran-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 158998789

Frequently Asked Questions

What is the IUPAC name of ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one?
The IUPAC name of ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one (CID 161285651) is ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one.
What is the SMILES notation for ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one?
The canonical SMILES for ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one is CC.O=c1c2ccccc2n(-c2ccccc2)c2ccccc12.O=c1c2ccccc2oc2ccccc12.O=c1c2ccccc2sc2ccccc12.
What is the InChIKey of ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one?
The InChIKey is VFRJMDMVSZXGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO.C13H8O2.C13H8OS.C2H6/c21-19-15-10-4-6-12-17(15)20(14-8-2-1-3-9-14)18-13-7-5-11-16(18)19;2*14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-2/h1-13H;2*1-8H;1-2H3.
What are the key properties of ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one?
ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one has a molecular weight of 709.87 g/mol, XLogP of 11.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one is sourced from PubChem (CID 161285651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).