1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one

C32H30N2O3 — CID 139727146

IUPAC1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCc1ccc(Nc2cccc3c2C2(OC(=O)c4ccccc42)c2ccccc2O3)c(N(CC)CC)c1
InChIInChI=1S/C32H30N2O3/c1-4-21-18-19-25(27(20-21)34(5-2)6-3)33-26-15-11-17-29-30(26)32(24-14-9-10-16-28(24)36-29)23-13-8-7-12-22(23)31(35)37-32/h7-20,33H,4-6H2,1-3H3
InChIKeyCKTBJQBKJVWJOR-UHFFFAOYSA-N
MW490.60 g/mol
LogP7.41
Rot. Bonds6

About 1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one

1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 139727146) has the molecular formula C32H30N2O3 and a molecular weight of 490.60 g/mol. Its IUPAC name is 1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID139727146
Molecular FormulaC32H30N2O3
Molecular Weight490.60 g/mol
Exact Mass490.23
IUPAC Name1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCc1ccc(Nc2cccc3c2C2(OC(=O)c4ccccc42)c2ccccc2O3)c(N(CC)CC)c1
InChIInChI=1S/C32H30N2O3/c1-4-21-18-19-25(27(20-21)34(5-2)6-3)33-26-15-11-17-29-30(26)32(24-14-9-10-16-28(24)36-29)23-13-8-7-12-22(23)31(35)37-32/h7-20,33H,4-6H2,1-3H3
InChIKeyCKTBJQBKJVWJOR-UHFFFAOYSA-N
XLogP7.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727154
7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727134
6'-(diethylamino)-1'-(2-fluoroanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139769566
7'-amino-1'-(2-ethyl-4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727183
2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139663204
1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139790629
2'-(3-ethylanilino)-1'-(N-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139761042
1'-(2-ethyl-4-methylanilino)-5'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727144
7'-amino-1'-(4-chloro-2-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727157
7'-amino-1'-(2,4-dimethyl-3-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727163
7'-amino-1'-(4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727176
4-(2,5-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70408753

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 139727146) is 1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one is CCc1ccc(Nc2cccc3c2C2(OC(=O)c4ccccc42)c2ccccc2O3)c(N(CC)CC)c1.
What is the InChIKey of 1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is CKTBJQBKJVWJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O3/c1-4-21-18-19-25(27(20-21)34(5-2)6-3)33-26-15-11-17-29-30(26)32(24-14-9-10-16-28(24)36-29)23-13-8-7-12-22(23)31(35)37-32/h7-20,33H,4-6H2,1-3H3.
What are the key properties of 1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 490.60 g/mol, XLogP of 7.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 139727146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).