3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one

C27H20N2O6 — CID 123542263

IUPAC3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one
SMILESCC12C=C3OC(O)C(=C4C(=O)Nc5ccccc54)C3=CC1OC(O)C2=C1C(=O)Nc2ccccc21
InChIInChI=1S/C27H20N2O6/c1-27-11-17-14(20(25(32)34-17)19-12-6-2-4-8-15(12)28-23(19)30)10-18(27)35-26(33)22(27)21-13-7-3-5-9-16(13)29-24(21)31/h2-11,18,25-26,32-33H,1H3,(H,28,30)(H,29,31)
InChIKeyGOVBUGMTGXSQHG-UHFFFAOYSA-N
MW468.47 g/mol
LogP2.69
Rot. Bonds

About 3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one

3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one (PubChem CID 123542263) has the molecular formula C27H20N2O6 and a molecular weight of 468.47 g/mol. Its IUPAC name is 3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one
PubChem CID123542263
Molecular FormulaC27H20N2O6
Molecular Weight468.47 g/mol
Exact Mass468.13
IUPAC Name3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one
SMILESCC12C=C3OC(O)C(=C4C(=O)Nc5ccccc54)C3=CC1OC(O)C2=C1C(=O)Nc2ccccc21
InChIInChI=1S/C27H20N2O6/c1-27-11-17-14(20(25(32)34-17)19-12-6-2-4-8-15(12)28-23(19)30)10-18(27)35-26(33)22(27)21-13-7-3-5-9-16(13)29-24(21)31/h2-11,18,25-26,32-33H,1H3,(H,28,30)(H,29,31)
InChIKeyGOVBUGMTGXSQHG-UHFFFAOYSA-N
XLogP2.69
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one?
The IUPAC name of 3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one (CID 123542263) is 3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one?
The canonical SMILES for 3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one is CC12C=C3OC(O)C(=C4C(=O)Nc5ccccc54)C3=CC1OC(O)C2=C1C(=O)Nc2ccccc21.
What is the InChIKey of 3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one?
The InChIKey is GOVBUGMTGXSQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O6/c1-27-11-17-14(20(25(32)34-17)19-12-6-2-4-8-15(12)28-23(19)30)10-18(27)35-26(33)22(27)21-13-7-3-5-9-16(13)29-24(21)31/h2-11,18,25-26,32-33H,1H3,(H,28,30)(H,29,31).
What are the key properties of 3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one?
3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one has a molecular weight of 468.47 g/mol, XLogP of 2.69, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dihydroxy-3a-methyl-3-(2-oxo-1H-indol-3-ylidene)-8aH-furo[2,3-f][1]benzofuran-7-ylidene]-1H-indol-2-one is sourced from PubChem (CID 123542263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).