5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione

C23H19NO2 — CID 24826109

IUPAC5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
SMILESO=C1CCCc2c1c1c(n2CCc2ccccc2)-c2ccccc2C1=O
InChIInChI=1S/C23H19NO2/c25-19-12-6-11-18-20(19)21-22(16-9-4-5-10-17(16)23(21)26)24(18)14-13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2
InChIKeySOUZORJPTHGIJA-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.46
Rot. Bonds3

About 5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione

5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione (PubChem CID 24826109) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione.

Molecular Properties

Compound Name5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
PubChem CID24826109
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
SMILESO=C1CCCc2c1c1c(n2CCc2ccccc2)-c2ccccc2C1=O
InChIInChI=1S/C23H19NO2/c25-19-12-6-11-18-20(19)21-22(16-9-4-5-10-17(16)23(21)26)24(18)14-13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2
InChIKeySOUZORJPTHGIJA-UHFFFAOYSA-N
XLogP4.46
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_O(1)', 'substructure': 'N/A'}

Analyze 5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione with MolForge

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Related Compounds

1-benzyl-2-ethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CID 11128828
5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24764502
7-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 66637000
5(3-Phenylpropyl)-5,7,8-tetrahydroindeno[1,2-b]indol-9,10-dione
CID 24204512
5-benzyl-7-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 406584
1,2-diphenyl-1,5,6,7-tetrahydro-4H-indol-4-one
CID 3511336
7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 66636984
5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24826110
5-Propan-2-yl-7,8-dihydroindeno[1,2-b]indole-6,9,10-trione
CID 73353970
7-phenyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 101913604
8,8-Dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione
CID 118719585
1,3-Diphenyl-4-azafluorenone
CID 630508

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The IUPAC name of 5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione (CID 24826109) is 5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione.
What is the SMILES notation for 5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The canonical SMILES for 5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione is O=C1CCCc2c1c1c(n2CCc2ccccc2)-c2ccccc2C1=O.
What is the InChIKey of 5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The InChIKey is SOUZORJPTHGIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c25-19-12-6-11-18-20(19)21-22(16-9-4-5-10-17(16)23(21)26)24(18)14-13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2.
What are the key properties of 5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione has a molecular weight of 341.41 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione is sourced from PubChem (CID 24826109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).