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

C21H15NO2 — CID 24826111

IUPAC5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
SMILESO=C1CCCc2c1c1c(n2-c2ccccc2)-c2ccccc2C1=O
InChIInChI=1S/C21H15NO2/c23-17-12-6-11-16-18(17)19-20(22(16)13-7-2-1-3-8-13)14-9-4-5-10-15(14)21(19)24/h1-5,7-10H,6,11-12H2
InChIKeyFJLBSEXBGWXECU-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.21
Rot. Bonds1

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

5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione (PubChem CID 24826111) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione.

Molecular Properties

Compound Name5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
PubChem CID24826111
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
SMILESO=C1CCCc2c1c1c(n2-c2ccccc2)-c2ccccc2C1=O
InChIInChI=1S/C21H15NO2/c23-17-12-6-11-16-18(17)19-20(22(16)13-7-2-1-3-8-13)14-9-4-5-10-15(14)21(19)24/h1-5,7-10H,6,11-12H2
InChIKeyFJLBSEXBGWXECU-UHFFFAOYSA-N
XLogP4.21
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The IUPAC name of 5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione (CID 24826111) is 5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione.
What is the SMILES notation for 5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The canonical SMILES for 5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione is O=C1CCCc2c1c1c(n2-c2ccccc2)-c2ccccc2C1=O.
What is the InChIKey of 5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The InChIKey is FJLBSEXBGWXECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c23-17-12-6-11-16-18(17)19-20(22(16)13-7-2-1-3-8-13)14-9-4-5-10-15(14)21(19)24/h1-5,7-10H,6,11-12H2.
What are the key properties of 5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione has a molecular weight of 313.36 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione is sourced from PubChem (CID 24826111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).