2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one

C39H34Cl2N2O4 — CID 139834794

IUPAC2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCCN(CCC)c1ccc2c(c1)Oc1cc(OC)c(N(c3ccccc3Cl)c3ccccc3Cl)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C39H34Cl2N2O4/c1-4-20-42(21-5-2)25-18-19-28-35(22-25)46-36-24-37(45-3)34(23-29(36)39(28)27-13-7-6-12-26(27)38(44)47-39)43(32-16-10-8-14-30(32)40)33-17-11-9-15-31(33)41/h6-19,22-24H,4-5,20-21H2,1-3H3
InChIKeyAEUAFDBIQSNSGL-UHFFFAOYSA-N
MW665.62 g/mol
LogP10.67
Rot. Bonds9

About 2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one

2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 139834794) has the molecular formula C39H34Cl2N2O4 and a molecular weight of 665.62 g/mol. Its IUPAC name is 2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID139834794
Molecular FormulaC39H34Cl2N2O4
Molecular Weight665.62 g/mol
Exact Mass664.19
IUPAC Name2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCCN(CCC)c1ccc2c(c1)Oc1cc(OC)c(N(c3ccccc3Cl)c3ccccc3Cl)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C39H34Cl2N2O4/c1-4-20-42(21-5-2)25-18-19-28-35(22-25)46-36-24-37(45-3)34(23-29(36)39(28)27-13-7-6-12-26(27)38(44)47-39)43(32-16-10-8-14-30(32)40)33-17-11-9-15-31(33)41/h6-19,22-24H,4-5,20-21H2,1-3H3
InChIKeyAEUAFDBIQSNSGL-UHFFFAOYSA-N
XLogP10.67
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.62
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[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

6'-(diethylamino)-2'-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139629894
6'-(diethylamino)-2'-(4-ethyl-N-(4-ethylphenyl)anilino)-3'-propoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139834771
3'-chloro-2'-(2-chloroanilino)-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139647869
(3S)-2'-amino-3'-chloro-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 7360846
2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 14177672
2'-chloro-6'-[ethyl(octyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139647853
(3S)-2'-[(2-chlorophenyl)methylamino]-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 129386376
(3R)-2'-[(2-chlorophenyl)methylamino]-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 129386375
6'-(diethylamino)-3'-methyl-2'-(4-methyl-N-(4-methylphenyl)anilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139639419
6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139781460
6'-(diethylamino)-2'-(N-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139704929
2'-chloro-6'-[4-(dibutylamino)anilino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 14323737

Frequently Asked Questions

What is the IUPAC name of 2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 139834794) is 2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one is CCCN(CCC)c1ccc2c(c1)Oc1cc(OC)c(N(c3ccccc3Cl)c3ccccc3Cl)cc1C21OC(=O)c2ccccc21.
What is the InChIKey of 2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is AEUAFDBIQSNSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34Cl2N2O4/c1-4-20-42(21-5-2)25-18-19-28-35(22-25)46-36-24-37(45-3)34(23-29(36)39(28)27-13-7-6-12-26(27)38(44)47-39)43(32-16-10-8-14-30(32)40)33-17-11-9-15-31(33)41/h6-19,22-24H,4-5,20-21H2,1-3H3.
What are the key properties of 2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one?
2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 665.62 g/mol, XLogP of 10.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2-chloro-N-(2-chlorophenyl)anilino)-6'-(dipropylamino)-3'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 139834794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).