6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one

C30H26N2O3 — CID 54258165

IUPAC6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCc1ccc(N(C)c2ccc3c(c2)C2(OC(=O)c4ccccc42)c2ccc(N(C)C)cc2O3)cc1
InChIInChI=1S/C30H26N2O3/c1-19-9-11-20(12-10-19)32(4)22-14-16-27-26(17-22)30(24-8-6-5-7-23(24)29(33)35-30)25-15-13-21(31(2)3)18-28(25)34-27/h5-18H,1-4H3
InChIKeyRBNRCXZAZRFORB-UHFFFAOYSA-N
MW462.55 g/mol
LogP6.40
Rot. Bonds3

About 6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one

6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 54258165) has the molecular formula C30H26N2O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID54258165
Molecular FormulaC30H26N2O3
Molecular Weight462.55 g/mol
Exact Mass462.19
IUPAC Name6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCc1ccc(N(C)c2ccc3c(c2)C2(OC(=O)c4ccccc42)c2ccc(N(C)C)cc2O3)cc1
InChIInChI=1S/C30H26N2O3/c1-19-9-11-20(12-10-19)32(4)22-14-16-27-26(17-22)30(24-8-6-5-7-23(24)29(33)35-30)25-15-13-21(31(2)3)18-28(25)34-27/h5-18H,1-4H3
InChIKeyRBNRCXZAZRFORB-UHFFFAOYSA-N
XLogP6.40
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(dimethylamino)-2-[1-[4-[[6'-(N,4-dimethylanilino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]-methylamino]phenyl]-3-oxo-2-benzofuran-1-yl]phenyl] acetate
CID 54370889
bis(3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one);ethane
CID 158025143
6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 20661807
6'-(N-methylanilino)-2'-(N-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 58861685
2'-chloro-6'-(N-ethyl-4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 14297605
6'-(dimethylamino)-N,N-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-amine oxide
CID 126580660
3'-[(N,4-dimethylanilino)methyl]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 140885373
3'-(4-amino-N-methylanilino)-6'-hydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethane
CID 143870788
2'-anilino-6'-(dimethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one;carbanide;ethane;yttrium
CID 165104896
6'-[4-(dimethylamino)anilino]-2',3'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 14496086
2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 14177672
6'-(diethylamino)-3'-methyl-2'-(4-methyl-N-(4-methylphenyl)anilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139639419

Frequently Asked Questions

What is the IUPAC name of 6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 54258165) is 6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one is Cc1ccc(N(C)c2ccc3c(c2)C2(OC(=O)c4ccccc42)c2ccc(N(C)C)cc2O3)cc1.
What is the InChIKey of 6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is RBNRCXZAZRFORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O3/c1-19-9-11-20(12-10-19)32(4)22-14-16-27-26(17-22)30(24-8-6-5-7-23(24)29(33)35-30)25-15-13-21(31(2)3)18-28(25)34-27/h5-18H,1-4H3.
What are the key properties of 6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 462.55 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-(dimethylamino)-2'-(N,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 54258165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).