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

C23H19NO2 — CID 24826110

IUPAC5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
SMILESCC(c1ccccc1)n1c2c(c3c1-c1ccccc1C3=O)C(=O)CCC2
InChIInChI=1S/C23H19NO2/c1-14(15-8-3-2-4-9-15)24-18-12-7-13-19(25)20(18)21-22(24)16-10-5-6-11-17(16)23(21)26/h2-6,8-11,14H,7,12-13H2,1H3
InChIKeyDYAPKGQWHOOVHZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.83
Rot. Bonds2

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

5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione (PubChem CID 24826110) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione.

Molecular Properties

Compound Name5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
PubChem CID24826110
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
SMILESCC(c1ccccc1)n1c2c(c3c1-c1ccccc1C3=O)C(=O)CCC2
InChIInChI=1S/C23H19NO2/c1-14(15-8-3-2-4-9-15)24-18-12-7-13-19(25)20(18)21-22(24)16-10-5-6-11-17(16)23(21)26/h2-6,8-11,14H,7,12-13H2,1H3
InChIKeyDYAPKGQWHOOVHZ-UHFFFAOYSA-N
XLogP4.83
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The IUPAC name of 5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione (CID 24826110) is 5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione.
What is the SMILES notation for 5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The canonical SMILES for 5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione is CC(c1ccccc1)n1c2c(c3c1-c1ccccc1C3=O)C(=O)CCC2.
What is the InChIKey of 5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
The InChIKey is DYAPKGQWHOOVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-14(15-8-3-2-4-9-15)24-18-12-7-13-19(25)20(18)21-22(24)16-10-5-6-11-17(16)23(21)26/h2-6,8-11,14H,7,12-13H2,1H3.
What are the key properties of 5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione?
5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione has a molecular weight of 341.41 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione is sourced from PubChem (CID 24826110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).