2-methyl-1,3-diphenyl-4,7-dihydroisoindole

C21H19N — CID 10684561

IUPAC2-methyl-1,3-diphenyl-4,7-dihydroisoindole
SMILESCn1c(-c2ccccc2)c2c(c1-c1ccccc1)CC=CC2
InChIInChI=1S/C21H19N/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/h2-13H,14-15H2,1H3
InChIKeyLCMBJXIWZPLMFH-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.01
Rot. Bonds2

About 2-methyl-1,3-diphenyl-4,7-dihydroisoindole

2-methyl-1,3-diphenyl-4,7-dihydroisoindole (PubChem CID 10684561) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-1,3-diphenyl-4,7-dihydroisoindole.

Molecular Properties

Compound Name2-methyl-1,3-diphenyl-4,7-dihydroisoindole
PubChem CID10684561
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name2-methyl-1,3-diphenyl-4,7-dihydroisoindole
SMILESCn1c(-c2ccccc2)c2c(c1-c1ccccc1)CC=CC2
InChIInChI=1S/C21H19N/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/h2-13H,14-15H2,1H3
InChIKeyLCMBJXIWZPLMFH-UHFFFAOYSA-N
XLogP5.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-diphenyl-4,7-dihydroisoindole?
The IUPAC name of 2-methyl-1,3-diphenyl-4,7-dihydroisoindole (CID 10684561) is 2-methyl-1,3-diphenyl-4,7-dihydroisoindole.
What is the SMILES notation for 2-methyl-1,3-diphenyl-4,7-dihydroisoindole?
The canonical SMILES for 2-methyl-1,3-diphenyl-4,7-dihydroisoindole is Cn1c(-c2ccccc2)c2c(c1-c1ccccc1)CC=CC2.
What is the InChIKey of 2-methyl-1,3-diphenyl-4,7-dihydroisoindole?
The InChIKey is LCMBJXIWZPLMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/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/h2-13H,14-15H2,1H3.
What are the key properties of 2-methyl-1,3-diphenyl-4,7-dihydroisoindole?
2-methyl-1,3-diphenyl-4,7-dihydroisoindole has a molecular weight of 285.39 g/mol, XLogP of 5.01, 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-diphenyl-4,7-dihydroisoindole is sourced from PubChem (CID 10684561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).