2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

C30H26N2O3 — CID 139663204

IUPAC2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCN(CC)c1c(Nc2ccccc2)ccc2c1C1(OC(=O)c3ccccc31)c1ccccc1O2
InChIInChI=1S/C30H26N2O3/c1-3-32(4-2)28-24(31-20-12-6-5-7-13-20)18-19-26-27(28)30(23-16-10-11-17-25(23)34-26)22-15-9-8-14-21(22)29(33)35-30/h5-19,31H,3-4H2,1-2H3
InChIKeyIPWSUNKIMBJHGY-UHFFFAOYSA-N
MW462.55 g/mol
LogP6.84
Rot. Bonds5

About 2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 139663204) has the molecular formula C30H26N2O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID139663204
Molecular FormulaC30H26N2O3
Molecular Weight462.55 g/mol
Exact Mass462.19
IUPAC Name2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCN(CC)c1c(Nc2ccccc2)ccc2c1C1(OC(=O)c3ccccc31)c1ccccc1O2
InChIInChI=1S/C30H26N2O3/c1-3-32(4-2)28-24(31-20-12-6-5-7-13-20)18-19-26-27(28)30(23-16-10-11-17-25(23)34-26)22-15-9-8-14-21(22)29(33)35-30/h5-19,31H,3-4H2,1-2H3
InChIKeyIPWSUNKIMBJHGY-UHFFFAOYSA-N
XLogP6.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2'-(3-ethylanilino)-1'-(N-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139761042
1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727146
7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727134
(3S)-2'-anilino-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 86306490
2'-anilino-6'-(diethylamino)-3'-iodospiro[2-benzofuran-3,9'-xanthene]-1-one
CID 140525779
6'-(diethylamino)-1'-(2-fluoroanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139769566
7'-amino-1'-(4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727176
7'-anilino-1'-[hexyl(methyl)amino]-6'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139767825
7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727154
7'-amino-1'-(2-ethyl-4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727183
3',6'-bis[4-(diethylamino)anilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 11422222
1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139790629

Frequently Asked Questions

What is the IUPAC name of 2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 139663204) is 2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one is CCN(CC)c1c(Nc2ccccc2)ccc2c1C1(OC(=O)c3ccccc31)c1ccccc1O2.
What is the InChIKey of 2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is IPWSUNKIMBJHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O3/c1-3-32(4-2)28-24(31-20-12-6-5-7-13-20)18-19-26-27(28)30(23-16-10-11-17-25(23)34-26)22-15-9-8-14-21(22)29(33)35-30/h5-19,31H,3-4H2,1-2H3.
What are the key properties of 2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 462.55 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 139663204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).