2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione

C28H21NO3 — CID 156771382

IUPAC2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione
SMILESCc1c(-c2ccccc2)cccc1N1C(=O)c2ccc(OCc3ccccc3)cc2C1=O
InChIInChI=1S/C28H21NO3/c1-19-23(21-11-6-3-7-12-21)13-8-14-26(19)29-27(30)24-16-15-22(17-25(24)28(29)31)32-18-20-9-4-2-5-10-20/h2-17H,18H2,1H3
InChIKeyPAVSBOKMCZPYFB-UHFFFAOYSA-N
MW419.48 g/mol
LogP6.04
Rot. Bonds5

About 2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione

2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione (PubChem CID 156771382) has the molecular formula C28H21NO3 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione
PubChem CID156771382
Molecular FormulaC28H21NO3
Molecular Weight419.48 g/mol
Exact Mass419.15
IUPAC Name2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione
SMILESCc1c(-c2ccccc2)cccc1N1C(=O)c2ccc(OCc3ccccc3)cc2C1=O
InChIInChI=1S/C28H21NO3/c1-19-23(21-11-6-3-7-12-21)13-8-14-26(19)29-27(30)24-16-15-22(17-25(24)28(29)31)32-18-20-9-4-2-5-10-20/h2-17H,18H2,1H3
InChIKeyPAVSBOKMCZPYFB-UHFFFAOYSA-N
XLogP6.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione?
The IUPAC name of 2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione (CID 156771382) is 2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione.
What is the SMILES notation for 2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione?
The canonical SMILES for 2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione is Cc1c(-c2ccccc2)cccc1N1C(=O)c2ccc(OCc3ccccc3)cc2C1=O.
What is the InChIKey of 2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione?
The InChIKey is PAVSBOKMCZPYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO3/c1-19-23(21-11-6-3-7-12-21)13-8-14-26(19)29-27(30)24-16-15-22(17-25(24)28(29)31)32-18-20-9-4-2-5-10-20/h2-17H,18H2,1H3.
What are the key properties of 2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione?
2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione has a molecular weight of 419.48 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-phenylphenyl)-5-phenylmethoxyisoindole-1,3-dione is sourced from PubChem (CID 156771382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).