2-methyl-1,3-diphenylisoindole

C21H17N — CID 3710956

IUPAC2-methyl-1,3-diphenylisoindole
SMILESCn1c(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H17N/c1-22-20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)21(22)17-12-6-3-7-13-17/h2-15H,1H3
InChIKeyBYVDYBMDKJLNFV-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.51
Rot. Bonds2

About 2-methyl-1,3-diphenylisoindole

2-methyl-1,3-diphenylisoindole (PubChem CID 3710956) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-1,3-diphenylisoindole.

Molecular Properties

Compound Name2-methyl-1,3-diphenylisoindole
PubChem CID3710956
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name2-methyl-1,3-diphenylisoindole
SMILESCn1c(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H17N/c1-22-20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)21(22)17-12-6-3-7-13-17/h2-15H,1H3
InChIKeyBYVDYBMDKJLNFV-UHFFFAOYSA-N
XLogP5.51
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-diphenylisoindole?
The IUPAC name of 2-methyl-1,3-diphenylisoindole (CID 3710956) is 2-methyl-1,3-diphenylisoindole.
What is the SMILES notation for 2-methyl-1,3-diphenylisoindole?
The canonical SMILES for 2-methyl-1,3-diphenylisoindole is Cn1c(-c2ccccc2)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 2-methyl-1,3-diphenylisoindole?
The InChIKey is BYVDYBMDKJLNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-22-20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)21(22)17-12-6-3-7-13-17/h2-15H,1H3.
What are the key properties of 2-methyl-1,3-diphenylisoindole?
2-methyl-1,3-diphenylisoindole has a molecular weight of 283.37 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-diphenylisoindole is sourced from PubChem (CID 3710956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).