2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione

C31H20N2O4 — CID 90139758

IUPAC2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(C3(c4ccc5c(c4)C(=O)N(C)C5=O)c4ccccc4-c4ccccc43)cc2C1=O
InChIInChI=1S/C31H20N2O4/c1-32-27(34)21-13-11-17(15-23(21)29(32)36)31(18-12-14-22-24(16-18)30(37)33(2)28(22)35)25-9-5-3-7-19(25)20-8-4-6-10-26(20)31/h3-16H,1-2H3
InChIKeyLXRHKUAPLLXAJF-UHFFFAOYSA-N
MW484.51 g/mol
LogP4.50
Rot. Bonds2

About 2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione

2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione (PubChem CID 90139758) has the molecular formula C31H20N2O4 and a molecular weight of 484.51 g/mol. Its IUPAC name is 2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione
PubChem CID90139758
Molecular FormulaC31H20N2O4
Molecular Weight484.51 g/mol
Exact Mass484.14
IUPAC Name2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(C3(c4ccc5c(c4)C(=O)N(C)C5=O)c4ccccc4-c4ccccc43)cc2C1=O
InChIInChI=1S/C31H20N2O4/c1-32-27(34)21-13-11-17(15-23(21)29(32)36)31(18-12-14-22-24(16-18)30(37)33(2)28(22)35)25-9-5-3-7-19(25)20-8-4-6-10-26(20)31/h3-16H,1-2H3
InChIKeyLXRHKUAPLLXAJF-UHFFFAOYSA-N
XLogP4.50
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione (CID 90139758) is 2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione is CN1C(=O)c2ccc(C3(c4ccc5c(c4)C(=O)N(C)C5=O)c4ccccc4-c4ccccc43)cc2C1=O.
What is the InChIKey of 2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione?
The InChIKey is LXRHKUAPLLXAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O4/c1-32-27(34)21-13-11-17(15-23(21)29(32)36)31(18-12-14-22-24(16-18)30(37)33(2)28(22)35)25-9-5-3-7-19(25)20-8-4-6-10-26(20)31/h3-16H,1-2H3.
What are the key properties of 2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione?
2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione has a molecular weight of 484.51 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione is sourced from PubChem (CID 90139758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).