2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole

C23H23N — CID 10710333

IUPAC2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole
SMILESCC1=C(C)Cc2c(c(-c3ccccc3)n(C)c2-c2ccccc2)C1
InChIInChI=1S/C23H23N/c1-16-14-20-21(15-17(16)2)23(19-12-8-5-9-13-19)24(3)22(20)18-10-6-4-7-11-18/h4-13H,14-15H2,1-3H3
InChIKeyACNHZSWLZCKIAM-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.79
Rot. Bonds2

About 2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole

2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole (PubChem CID 10710333) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole.

Molecular Properties

Compound Name2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole
PubChem CID10710333
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole
SMILESCC1=C(C)Cc2c(c(-c3ccccc3)n(C)c2-c2ccccc2)C1
InChIInChI=1S/C23H23N/c1-16-14-20-21(15-17(16)2)23(19-12-8-5-9-13-19)24(3)22(20)18-10-6-4-7-11-18/h4-13H,14-15H2,1-3H3
InChIKeyACNHZSWLZCKIAM-UHFFFAOYSA-N
XLogP5.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.79
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 2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole?
The IUPAC name of 2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole (CID 10710333) is 2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole.
What is the SMILES notation for 2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole?
The canonical SMILES for 2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole is CC1=C(C)Cc2c(c(-c3ccccc3)n(C)c2-c2ccccc2)C1.
What is the InChIKey of 2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole?
The InChIKey is ACNHZSWLZCKIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-16-14-20-21(15-17(16)2)23(19-12-8-5-9-13-19)24(3)22(20)18-10-6-4-7-11-18/h4-13H,14-15H2,1-3H3.
What are the key properties of 2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole?
2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole has a molecular weight of 313.44 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole is sourced from PubChem (CID 10710333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).