2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole

C29H25N — CID 66687652

IUPAC2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole
SMILESCCc1cc(C)cc(-n2c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c1
InChIInChI=1S/C29H25N/c1-3-22-18-21(2)19-25(20-22)30-28(23-12-6-4-7-13-23)26-16-10-11-17-27(26)29(30)24-14-8-5-9-15-24/h4-20H,3H2,1-2H3
InChIKeyMLTNODYJLBEVLU-UHFFFAOYSA-N
MW387.53 g/mol
LogP7.84
Rot. Bonds4

About 2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole

2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole (PubChem CID 66687652) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole.

Molecular Properties

Compound Name2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole
PubChem CID66687652
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC Name2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole
SMILESCCc1cc(C)cc(-n2c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c1
InChIInChI=1S/C29H25N/c1-3-22-18-21(2)19-25(20-22)30-28(23-12-6-4-7-13-23)26-16-10-11-17-27(26)29(30)24-14-8-5-9-15-24/h4-20H,3H2,1-2H3
InChIKeyMLTNODYJLBEVLU-UHFFFAOYSA-N
XLogP7.84
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
(3-carbazol-9-yl-5-methylphenyl)methanamine
CID 153329301
bis(1-ethyl-3,5-dimethylbenzene);naphthalene
CID 165102980
2-(3-ethylphenyl)-3-phenylindazole
CID 169225849
9-(3-carbazol-9-yl-5-methylphenyl)-3,6-diphenylcarbazole
CID 145158092
1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene
CID 159034335
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole
CID 163429920
3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370775
2-methyl-1,3-diphenylisoindole
CID 3710956
3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307155
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378
3-[9-[3-(3,5-diphenylphenyl)-5-methylphenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144560195

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole?
The IUPAC name of 2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole (CID 66687652) is 2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole.
What is the SMILES notation for 2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole?
The canonical SMILES for 2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole is CCc1cc(C)cc(-n2c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c1.
What is the InChIKey of 2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole?
The InChIKey is MLTNODYJLBEVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N/c1-3-22-18-21(2)19-25(20-22)30-28(23-12-6-4-7-13-23)26-16-10-11-17-27(26)29(30)24-14-8-5-9-15-24/h4-20H,3H2,1-2H3.
What are the key properties of 2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole?
2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole has a molecular weight of 387.53 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-methylphenyl)-1,3-diphenylisoindole is sourced from PubChem (CID 66687652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).