1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one

C26H18N2O2 — CID 175263364

IUPAC1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one
SMILESO=C1NC2(c3ccccc3Oc3cccc(Nc4ccccc4)c32)c2ccccc21
InChIInChI=1S/C26H18N2O2/c29-25-18-11-4-5-12-19(18)26(28-25)20-13-6-7-15-22(20)30-23-16-8-14-21(24(23)26)27-17-9-2-1-3-10-17/h1-16,27H,(H,28,29)
InChIKeyGNQLRTDGNOQNTO-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.57
Rot. Bonds2

About 1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one

1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one (PubChem CID 175263364) has the molecular formula C26H18N2O2 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one
PubChem CID175263364
Molecular FormulaC26H18N2O2
Molecular Weight390.44 g/mol
Exact Mass390.14
IUPAC Name1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one
SMILESO=C1NC2(c3ccccc3Oc3cccc(Nc4ccccc4)c32)c2ccccc21
InChIInChI=1S/C26H18N2O2/c29-25-18-11-4-5-12-19(18)26(28-25)20-13-6-7-15-22(20)30-23-16-8-14-21(24(23)26)27-17-9-2-1-3-10-17/h1-16,27H,(H,28,29)
InChIKeyGNQLRTDGNOQNTO-UHFFFAOYSA-N
XLogP5.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1',2'-bis(diethylamino)spiro[2H-isoindole-3,9'-xanthene]-1-one
CID 175720235
9-(2-anilinophenyl)xanthen-9-ol
CID 135194804
1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one
CID 150728002
2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139663204
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
4-anilino-6,7-bis[4-(dimethylamino)phenyl]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 91113716
(3R)-2'-iodo-3'-phenylspiro[2H-isoindole-3,1'-indene]-1-one
CID 139095295
9-methylidene-N-phenylxanthen-4-amine
CID 88999352
1'-(2-chloroanilino)-6'-(4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139761193
7-(2-chloroanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 54529285
1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139790629

Frequently Asked Questions

What is the IUPAC name of 1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one?
The IUPAC name of 1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one (CID 175263364) is 1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one.
What is the SMILES notation for 1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one?
The canonical SMILES for 1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one is O=C1NC2(c3ccccc3Oc3cccc(Nc4ccccc4)c32)c2ccccc21.
What is the InChIKey of 1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one?
The InChIKey is GNQLRTDGNOQNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2/c29-25-18-11-4-5-12-19(18)26(28-25)20-13-6-7-15-22(20)30-23-16-8-14-21(24(23)26)27-17-9-2-1-3-10-17/h1-16,27H,(H,28,29).
What are the key properties of 1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one?
1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one has a molecular weight of 390.44 g/mol, XLogP of 5.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one is sourced from PubChem (CID 175263364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).