1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone

C26H21NO2 — CID 58270650

IUPAC1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone
SMILESCC(=O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1O
InChIInChI=1S/C26H21NO2/c1-17(28)22-15-20(12-14-26(22)29)27-24-13-11-18-7-5-6-10-21(18)23(24)16-25(27)19-8-3-2-4-9-19/h2-10,12,14-16,29H,11,13H2,1H3
InChIKeyWTDJPIJEWLQZPM-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.82
Rot. Bonds3

About 1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone

1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone (PubChem CID 58270650) has the molecular formula C26H21NO2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone
PubChem CID58270650
Molecular FormulaC26H21NO2
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC Name1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone
SMILESCC(=O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1O
InChIInChI=1S/C26H21NO2/c1-17(28)22-15-20(12-14-26(22)29)27-24-13-11-18-7-5-6-10-21(18)23(24)16-25(27)19-8-3-2-4-9-19/h2-10,12,14-16,29H,11,13H2,1H3
InChIKeyWTDJPIJEWLQZPM-UHFFFAOYSA-N
XLogP5.82
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone (CID 58270650) is 1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone is CC(=O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1O.
What is the InChIKey of 1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone?
The InChIKey is WTDJPIJEWLQZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2/c1-17(28)22-15-20(12-14-26(22)29)27-24-13-11-18-7-5-6-10-21(18)23(24)16-25(27)19-8-3-2-4-9-19/h2-10,12,14-16,29H,11,13H2,1H3.
What are the key properties of 1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone?
1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone has a molecular weight of 379.46 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)phenyl]ethanone is sourced from PubChem (CID 58270650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).