7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one

C30H26N2O3 — CID 139727154

IUPAC7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCc1ccc(Nc2cccc3c2C2(OC(=O)c4ccccc42)c2cc(N)ccc2O3)c(CC)c1
InChIInChI=1S/C30H26N2O3/c1-3-18-12-14-24(19(4-2)16-18)32-25-10-7-11-27-28(25)30(23-17-20(31)13-15-26(23)34-27)22-9-6-5-8-21(22)29(33)35-30/h5-17,32H,3-4,31H2,1-2H3
InChIKeyWAJZYSWHERWRSF-UHFFFAOYSA-N
MW462.55 g/mol
LogP6.71
Rot. Bonds4

About 7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one

7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 139727154) has the molecular formula C30H26N2O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID139727154
Molecular FormulaC30H26N2O3
Molecular Weight462.55 g/mol
Exact Mass462.19
IUPAC Name7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCc1ccc(Nc2cccc3c2C2(OC(=O)c4ccccc42)c2cc(N)ccc2O3)c(CC)c1
InChIInChI=1S/C30H26N2O3/c1-3-18-12-14-24(19(4-2)16-18)32-25-10-7-11-27-28(25)30(23-17-20(31)13-15-26(23)34-27)22-9-6-5-8-21(22)29(33)35-30/h5-17,32H,3-4,31H2,1-2H3
InChIKeyWAJZYSWHERWRSF-UHFFFAOYSA-N
XLogP6.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7'-amino-1'-(2-ethyl-4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727183
7'-amino-1'-(4-chloro-2-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727157
1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727146
7'-amino-1'-(4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727176
7'-amino-1'-(2,4-dimethyl-3-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727163
7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727134
1'-(2-ethyl-4-methylanilino)-5'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727144
2'-(3-ethylanilino)-1'-(N-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139761042
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
6'-(2-ethyl-4-methylanilino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 154599804
6'-(diethylamino)-1'-(2-fluoroanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139769566

Frequently Asked Questions

What is the IUPAC name of 7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 139727154) is 7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one is CCc1ccc(Nc2cccc3c2C2(OC(=O)c4ccccc42)c2cc(N)ccc2O3)c(CC)c1.
What is the InChIKey of 7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is WAJZYSWHERWRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O3/c1-3-18-12-14-24(19(4-2)16-18)32-25-10-7-11-27-28(25)30(23-17-20(31)13-15-26(23)34-27)22-9-6-5-8-21(22)29(33)35-30/h5-17,32H,3-4,31H2,1-2H3.
What are the key properties of 7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 462.55 g/mol, XLogP of 6.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 139727154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).