2-(4-methylphenyl)-1,3-diphenylisoindole

C27H21N — CID 66688273

IUPAC2-(4-methylphenyl)-1,3-diphenylisoindole
SMILESCc1ccc(-n2c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C27H21N/c1-20-16-18-23(19-17-20)28-26(21-10-4-2-5-11-21)24-14-8-9-15-25(24)27(28)22-12-6-3-7-13-22/h2-19H,1H3
InChIKeyYSCGSVMIYVAKJT-UHFFFAOYSA-N
MW359.47 g/mol
LogP7.27
Rot. Bonds3

About 2-(4-methylphenyl)-1,3-diphenylisoindole

2-(4-methylphenyl)-1,3-diphenylisoindole (PubChem CID 66688273) has the molecular formula C27H21N and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-diphenylisoindole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-diphenylisoindole
PubChem CID66688273
Molecular FormulaC27H21N
Molecular Weight359.47 g/mol
Exact Mass359.17
IUPAC Name2-(4-methylphenyl)-1,3-diphenylisoindole
SMILESCc1ccc(-n2c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C27H21N/c1-20-16-18-23(19-17-20)28-26(21-10-4-2-5-11-21)24-14-8-9-15-25(24)27(28)22-12-6-3-7-13-22/h2-19H,1H3
InChIKeyYSCGSVMIYVAKJT-UHFFFAOYSA-N
XLogP7.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-methylphenyl)-1,3-diphenylisoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378
1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
CID 12674926
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole
CID 66687652
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 162257704
12,26-bis(4-methylphenyl)-2,16-diphenyl-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaene
CID 123155033
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159365234

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3-diphenylisoindole?
The IUPAC name of 2-(4-methylphenyl)-1,3-diphenylisoindole (CID 66688273) is 2-(4-methylphenyl)-1,3-diphenylisoindole.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-diphenylisoindole?
The canonical SMILES for 2-(4-methylphenyl)-1,3-diphenylisoindole is Cc1ccc(-n2c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3-diphenylisoindole?
The InChIKey is YSCGSVMIYVAKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N/c1-20-16-18-23(19-17-20)28-26(21-10-4-2-5-11-21)24-14-8-9-15-25(24)27(28)22-12-6-3-7-13-22/h2-19H,1H3.
What are the key properties of 2-(4-methylphenyl)-1,3-diphenylisoindole?
2-(4-methylphenyl)-1,3-diphenylisoindole has a molecular weight of 359.47 g/mol, XLogP of 7.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3-diphenylisoindole is sourced from PubChem (CID 66688273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).