10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one

C28H23NO3 — CID 90471691

IUPAC10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
SMILESCCN(CC)c1ccc2c(c1)Oc1c(ccc3ccccc13)C21OC(=O)c2ccccc21
InChIInChI=1S/C28H23NO3/c1-3-29(4-2)19-14-16-23-25(17-19)31-26-20-10-6-5-9-18(20)13-15-24(26)28(23)22-12-8-7-11-21(22)27(30)32-28/h5-17H,3-4H2,1-2H3
InChIKeyXFMPAGZXHTZHKS-UHFFFAOYSA-N
MW421.50 g/mol
LogP6.25
Rot. Bonds3

About 10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one

10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one (PubChem CID 90471691) has the molecular formula C28H23NO3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one.

Molecular Properties

Compound Name10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
PubChem CID90471691
Molecular FormulaC28H23NO3
Molecular Weight421.50 g/mol
Exact Mass421.17
IUPAC Name10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
SMILESCCN(CC)c1ccc2c(c1)Oc1c(ccc3ccccc13)C21OC(=O)c2ccccc21
InChIInChI=1S/C28H23NO3/c1-3-29(4-2)19-14-16-23-25(17-19)31-26-20-10-6-5-9-18(20)13-15-24(26)28(23)22-12-8-7-11-21(22)27(30)32-28/h5-17H,3-4H2,1-2H3
InChIKeyXFMPAGZXHTZHKS-UHFFFAOYSA-N
XLogP6.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-6'-(diethylamino)-2'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 7360871
(3S)-2'-amino-3'-chloro-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 7360846
3',6'-bis[4-(diethylamino)anilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 11422222
3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 14876464
(3S)-2'-anilino-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 86306490
6'-(diethylamino)-3'-methyl-2'-(4-methyl-N-(4-methylphenyl)anilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139639419
6'-(diethylamino)-2'-(N-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139704929
2'-anilino-6'-(diethylamino)-3'-iodospiro[2-benzofuran-3,9'-xanthene]-1-one
CID 140525779
2'-(4-chloroanilino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 15597022
3,3-bis[4-(dibutylamino)-2-methylphenyl]-2-benzofuran-1-one;3,3-bis[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one
CID 157114567
bis(3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one);ethane
CID 158025143
tert-butyl 6'-(diethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-carboperoxoate
CID 139620196

Frequently Asked Questions

What is the IUPAC name of 10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one?
The IUPAC name of 10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one (CID 90471691) is 10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one.
What is the SMILES notation for 10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one?
The canonical SMILES for 10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one is CCN(CC)c1ccc2c(c1)Oc1c(ccc3ccccc13)C21OC(=O)c2ccccc21.
What is the InChIKey of 10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one?
The InChIKey is XFMPAGZXHTZHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO3/c1-3-29(4-2)19-14-16-23-25(17-19)31-26-20-10-6-5-9-18(20)13-15-24(26)28(23)22-12-8-7-11-21(22)27(30)32-28/h5-17H,3-4H2,1-2H3.
What are the key properties of 10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one?
10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one has a molecular weight of 421.50 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one is sourced from PubChem (CID 90471691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).