(2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one

C27H17NO4 — CID 69004476

IUPAC(2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)Oc2c1ccc(O)c2O
InChIInChI=1S/C27H17NO4/c29-22-12-11-19-25(30)23(32-27(19)26(22)31)14-20-18-7-3-4-8-21(18)28-24(20)17-10-9-15-5-1-2-6-16(15)13-17/h1-14,28-29,31H/b23-14-
InChIKeySTNPRPFIGWVYEU-UCQKPKSFSA-N
MW419.44 g/mol
LogP6.02
Rot. Bonds2

About (2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one

(2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one (PubChem CID 69004476) has the molecular formula C27H17NO4 and a molecular weight of 419.44 g/mol. Its IUPAC name is (2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
PubChem CID69004476
Molecular FormulaC27H17NO4
Molecular Weight419.44 g/mol
Exact Mass419.12
IUPAC Name(2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)Oc2c1ccc(O)c2O
InChIInChI=1S/C27H17NO4/c29-22-12-11-19-25(30)23(32-27(19)26(22)31)14-20-18-7-3-4-8-21(18)28-24(20)17-10-9-15-5-1-2-6-16(15)13-17/h1-14,28-29,31H/b23-14-
InChIKeySTNPRPFIGWVYEU-UCQKPKSFSA-N
XLogP6.02
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.44
LogP ≤ 56.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one (CID 69004476) is (2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one is O=C1/C(=C/c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)Oc2c1ccc(O)c2O.
What is the InChIKey of (2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one?
The InChIKey is STNPRPFIGWVYEU-UCQKPKSFSA-N. The full InChI is InChI=1S/C27H17NO4/c29-22-12-11-19-25(30)23(32-27(19)26(22)31)14-20-18-7-3-4-8-21(18)28-24(20)17-10-9-15-5-1-2-6-16(15)13-17/h1-14,28-29,31H/b23-14-.
What are the key properties of (2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one?
(2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one has a molecular weight of 419.44 g/mol, XLogP of 6.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 69004476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).