N-(9-oxothioxanthen-2-yl)-4-phenylbenzamide

C26H17NO2S — CID 7313885

IUPACN-(9-oxothioxanthen-2-yl)-4-phenylbenzamide
SMILESO=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H17NO2S/c28-25-21-8-4-5-9-23(21)30-24-15-14-20(16-22(24)25)27-26(29)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16H,(H,27,29)
InChIKeyRYSAPVSAAKEZRJ-UHFFFAOYSA-N
MW407.49 g/mol
LogP6.33
Rot. Bonds3

About N-(9-oxothioxanthen-2-yl)-4-phenylbenzamide

N-(9-oxothioxanthen-2-yl)-4-phenylbenzamide (PubChem CID 7313885) has the molecular formula C26H17NO2S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-(9-oxothioxanthen-2-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(9-oxothioxanthen-2-yl)-4-phenylbenzamide
PubChem CID7313885
Molecular FormulaC26H17NO2S
Molecular Weight407.49 g/mol
Exact Mass407.10
IUPAC NameN-(9-oxothioxanthen-2-yl)-4-phenylbenzamide
SMILESO=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H17NO2S/c28-25-21-8-4-5-9-23(21)30-24-15-14-20(16-22(24)25)27-26(29)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16H,(H,27,29)
InChIKeyRYSAPVSAAKEZRJ-UHFFFAOYSA-N
XLogP6.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.49
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(9-oxothioxanthen-2-yl)-4-(trifluoromethyl)benzamide
CID 5300075
N-(9H-carbazol-3-yl)-4-phenylbenzamide
CID 43917247
1,1'-biphenyl;thioxanthen-9-one
CID 159774057
2-(9-oxo-7-phenylthioxanthen-2-yl)-7-phenylthioxanthen-9-one
CID 123879199
N-(9-oxothioxanthen-3-yl)acetamide
CID 139971728
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
[(9-oxothioxanthen-2-yl)amino] acetate
CID 175296260
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide
CID 164708363

Frequently Asked Questions

What is the IUPAC name of N-(9-oxothioxanthen-2-yl)-4-phenylbenzamide?
The IUPAC name of N-(9-oxothioxanthen-2-yl)-4-phenylbenzamide (CID 7313885) is N-(9-oxothioxanthen-2-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(9-oxothioxanthen-2-yl)-4-phenylbenzamide?
The canonical SMILES for N-(9-oxothioxanthen-2-yl)-4-phenylbenzamide is O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(9-oxothioxanthen-2-yl)-4-phenylbenzamide?
The InChIKey is RYSAPVSAAKEZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO2S/c28-25-21-8-4-5-9-23(21)30-24-15-14-20(16-22(24)25)27-26(29)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16H,(H,27,29).
What are the key properties of N-(9-oxothioxanthen-2-yl)-4-phenylbenzamide?
N-(9-oxothioxanthen-2-yl)-4-phenylbenzamide has a molecular weight of 407.49 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-oxothioxanthen-2-yl)-4-phenylbenzamide is sourced from PubChem (CID 7313885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).