6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one

C33H23NO3 — CID 20661807

IUPAC6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCN(c1ccccc1)c1ccc2c(c1)Oc1ccc(-c3ccccc3)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C33H23NO3/c1-34(24-12-6-3-7-13-24)25-17-18-28-31(21-25)36-30-19-16-23(22-10-4-2-5-11-22)20-29(30)33(28)27-15-9-8-14-26(27)32(35)37-33/h2-21H,1H3
InChIKeyJHUDAXDPYHMCOY-UHFFFAOYSA-N
MW481.55 g/mol
LogP7.69
Rot. Bonds3

About 6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one

6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 20661807) has the molecular formula C33H23NO3 and a molecular weight of 481.55 g/mol. Its IUPAC name is 6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID20661807
Molecular FormulaC33H23NO3
Molecular Weight481.55 g/mol
Exact Mass481.17
IUPAC Name6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCN(c1ccccc1)c1ccc2c(c1)Oc1ccc(-c3ccccc3)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C33H23NO3/c1-34(24-12-6-3-7-13-24)25-17-18-28-31(21-25)36-30-19-16-23(22-10-4-2-5-11-22)20-29(30)33(28)27-15-9-8-14-26(27)32(35)37-33/h2-21H,1H3
InChIKeyJHUDAXDPYHMCOY-UHFFFAOYSA-N
XLogP7.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.55
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 54258165
6'-(N-methylanilino)-2'-(N-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 58861685
6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139781460
bis(3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one);ethane
CID 158025143
6'-(diethylamino)-2'-(N-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139704929
3'-(4-amino-N-methylanilino)-6'-hydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethane
CID 143870788
2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 14177672
2'-chloro-6'-(N-ethyl-4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 14297605
[5-(dimethylamino)-2-[1-[4-[[6'-(N,4-dimethylanilino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methylamino]phenyl]-3-oxo-2-benzofuran-1-yl]phenyl] acetate
CID 54370889
6'-(diethylamino)-2'-(N-octylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139704973
2'-(N-[2-hydroxy-3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propyl]anilino)-6'-(N-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 58602235
(3S)-6'-(diethylamino)-2'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 7360871

Frequently Asked Questions

What is the IUPAC name of 6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 20661807) is 6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one is CN(c1ccccc1)c1ccc2c(c1)Oc1ccc(-c3ccccc3)cc1C21OC(=O)c2ccccc21.
What is the InChIKey of 6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is JHUDAXDPYHMCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NO3/c1-34(24-12-6-3-7-13-24)25-17-18-28-31(21-25)36-30-19-16-23(22-10-4-2-5-11-22)20-29(30)33(28)27-15-9-8-14-26(27)32(35)37-33/h2-21H,1H3.
What are the key properties of 6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one?
6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 481.55 g/mol, XLogP of 7.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 20661807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).