4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione

C27H15NO3 — CID 73350853

IUPAC4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione
SMILESO=c1[nH]c(=O)c2c(-c3ccccc3)c3c(c(-c4ccccc4)c12)c(=O)c1ccccc13
InChIInChI=1S/C27H15NO3/c29-25-18-14-8-7-13-17(18)21-19(15-9-3-1-4-10-15)23-24(27(31)28-26(23)30)20(22(21)25)16-11-5-2-6-12-16/h1-14H,(H,28,30,31)
InChIKeyPWFFMWSIHCPLAV-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.76
Rot. Bonds2

About 4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione

4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione (PubChem CID 73350853) has the molecular formula C27H15NO3 and a molecular weight of 401.42 g/mol. Its IUPAC name is 4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione.

Molecular Properties

Compound Name4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione
PubChem CID73350853
Molecular FormulaC27H15NO3
Molecular Weight401.42 g/mol
Exact Mass401.11
IUPAC Name4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione
SMILESO=c1[nH]c(=O)c2c(-c3ccccc3)c3c(c(-c4ccccc4)c12)c(=O)c1ccccc13
InChIInChI=1S/C27H15NO3/c29-25-18-14-8-7-13-17(18)21-19(15-9-3-1-4-10-15)23-24(27(31)28-26(23)30)20(22(21)25)16-11-5-2-6-12-16/h1-14H,(H,28,30,31)
InChIKeyPWFFMWSIHCPLAV-UHFFFAOYSA-N
XLogP4.76
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione?
The IUPAC name of 4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione (CID 73350853) is 4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione.
What is the SMILES notation for 4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione?
The canonical SMILES for 4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione is O=c1[nH]c(=O)c2c(-c3ccccc3)c3c(c(-c4ccccc4)c12)c(=O)c1ccccc13.
What is the InChIKey of 4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione?
The InChIKey is PWFFMWSIHCPLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15NO3/c29-25-18-14-8-7-13-17(18)21-19(15-9-3-1-4-10-15)23-24(27(31)28-26(23)30)20(22(21)25)16-11-5-2-6-12-16/h1-14H,(H,28,30,31).
What are the key properties of 4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione?
4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione has a molecular weight of 401.42 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-diphenylindeno[1,2-f]isoindole-1,3,9-trione is sourced from PubChem (CID 73350853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).