3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione

C27H18N2O4 — CID 14855716

IUPAC3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione
SMILESO=C1OC(=O)C(c2c[nH]c3ccc(OCc4ccccc4)cc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C27H18N2O4/c30-26-24(20-13-28-22-9-5-4-8-18(20)22)25(27(31)33-26)21-14-29-23-11-10-17(12-19(21)23)32-15-16-6-2-1-3-7-16/h1-14,28-29H,15H2
InChIKeyJQCVUPLQANLJNX-UHFFFAOYSA-N
MW434.45 g/mol
LogP5.22
Rot. Bonds5

About 3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione

3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione (PubChem CID 14855716) has the molecular formula C27H18N2O4 and a molecular weight of 434.45 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione
PubChem CID14855716
Molecular FormulaC27H18N2O4
Molecular Weight434.45 g/mol
Exact Mass434.13
IUPAC Name3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione
SMILESO=C1OC(=O)C(c2c[nH]c3ccc(OCc4ccccc4)cc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C27H18N2O4/c30-26-24(20-13-28-22-9-5-4-8-18(20)22)25(27(31)33-26)21-14-29-23-11-10-17(12-19(21)23)32-15-16-6-2-1-3-7-16/h1-14,28-29H,15H2
InChIKeyJQCVUPLQANLJNX-UHFFFAOYSA-N
XLogP5.22
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.45
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione 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 3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione (CID 14855716) is 3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione is O=C1OC(=O)C(c2c[nH]c3ccc(OCc4ccccc4)cc23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione?
The InChIKey is JQCVUPLQANLJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O4/c30-26-24(20-13-28-22-9-5-4-8-18(20)22)25(27(31)33-26)21-14-29-23-11-10-17(12-19(21)23)32-15-16-6-2-1-3-7-16/h1-14,28-29H,15H2.
What are the key properties of 3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione?
3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione has a molecular weight of 434.45 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-(5-phenylmethoxy-1H-indol-3-yl)furan-2,5-dione is sourced from PubChem (CID 14855716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).