7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

C34H32N2O3 — CID 140509484

About 7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 140509484) has the molecular formula C34H32N2O3 and a molecular weight of 516.64 g/mol. Its IUPAC name is 7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

• Compound Name: 7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
• PubChem CID: 140509484
• Molecular Formula: C34H32N2O3
• Molecular Weight: 516.64 g/mol
• Exact Mass: 516.24
• IUPAC Name: 7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
• SMILES: CNc1c(C2CCCCC2)ccc2c1C1(OC(=O)c3ccccc31)c1cc(Nc3ccccc3)c(C)cc1O2
• InChI: InChI=1S/C34H32N2O3/c1-21-19-30-27(20-28(21)36-23-13-7-4-8-14-23)34(26-16-10-9-15-25(26)33(37)39-34)31-29(38-30)18-17-24(32(31)35-2)22-11-5-3-6-12-22/h4,7-10,13-20,22,35-36H,3,5-6,11-12H2,1-2H3
• InChIKey: WLYWDWZNORQZNH-UHFFFAOYSA-N
• XLogP: 8.40
• TPSA: 59.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.64
LogP ≤ 5	8.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?

The IUPAC name of 7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 140509484) is 7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one.

What is the SMILES notation for 7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?

The canonical SMILES for 7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one is CNc1c(C2CCCCC2)ccc2c1C1(OC(=O)c3ccccc31)c1cc(Nc3ccccc3)c(C)cc1O2.

What is the InChIKey of 7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?

The InChIKey is WLYWDWZNORQZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O3/c1-21-19-30-27(20-28(21)36-23-13-7-4-8-14-23)34(26-16-10-9-15-25(26)33(37)39-34)31-29(38-30)18-17-24(32(31)35-2)22-11-5-3-6-12-22/h4,7-10,13-20,22,35-36H,3,5-6,11-12H2,1-2H3.

What are the key properties of 7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one?

7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 516.64 g/mol, XLogP of 8.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7'-anilino-2'-cyclohexyl-6'-methyl-1'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 140509484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).