2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline

C27H22N2 — CID 122370074

IUPAC2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline
SMILESCc1ccc2c(-c3ccccc3)n(-c3ccccc3N)c(-c3ccccc3)c2c1
InChIInChI=1S/C27H22N2/c1-19-16-17-22-23(18-19)27(21-12-6-3-7-13-21)29(25-15-9-8-14-24(25)28)26(22)20-10-4-2-5-11-20/h2-18H,28H2,1H3
InChIKeyZKCJSPHBVABPQE-UHFFFAOYSA-N
MW374.49 g/mol
LogP6.86
Rot. Bonds3

About 2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline

2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline (PubChem CID 122370074) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline.

Molecular Properties

Compound Name2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline
PubChem CID122370074
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC Name2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline
SMILESCc1ccc2c(-c3ccccc3)n(-c3ccccc3N)c(-c3ccccc3)c2c1
InChIInChI=1S/C27H22N2/c1-19-16-17-22-23(18-19)27(21-12-6-3-7-13-21)29(25-15-9-8-14-24(25)28)26(22)20-10-4-2-5-11-20/h2-18H,28H2,1H3
InChIKeyZKCJSPHBVABPQE-UHFFFAOYSA-N
XLogP6.86
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-1,3-diphenylisoindole
CID 4267799
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine
CID 59195172
1,3-diphenylisoindole-2,5,6-triamine
CID 67353834
2-(6-methylindol-1-yl)aniline
CID 51032406
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
2,7-dimethyltriphenylene
CID 23261750
5,7,10-trimethyl-2,3-diphenylphenazine
CID 18761853
2,9-dimethyl-10-phenylanthracene
CID 58435289
5-methyl-2-(4-methylphenyl)-3-phenylindazole
CID 177414447
ethane;2-methyltriphenylene
CID 91569125
6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one
CID 154094682

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline?
The IUPAC name of 2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline (CID 122370074) is 2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline.
What is the SMILES notation for 2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline?
The canonical SMILES for 2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline is Cc1ccc2c(-c3ccccc3)n(-c3ccccc3N)c(-c3ccccc3)c2c1.
What is the InChIKey of 2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline?
The InChIKey is ZKCJSPHBVABPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2/c1-19-16-17-22-23(18-19)27(21-12-6-3-7-13-21)29(25-15-9-8-14-24(25)28)26(22)20-10-4-2-5-11-20/h2-18H,28H2,1H3.
What are the key properties of 2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline?
2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline has a molecular weight of 374.49 g/mol, XLogP of 6.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline is sourced from PubChem (CID 122370074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).