1,3-diphenylisoindole-2,5,6-triamine

C20H18N4 — CID 67353834

IUPAC1,3-diphenylisoindole-2,5,6-triamine
SMILESNc1cc2c(-c3ccccc3)n(N)c(-c3ccccc3)c2cc1N
InChIInChI=1S/C20H18N4/c21-17-11-15-16(12-18(17)22)20(14-9-5-2-6-10-14)24(23)19(15)13-7-3-1-4-8-13/h1-12H,21-23H2
InChIKeyVAHCDSFPLFCFGS-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.85
Rot. Bonds2

About 1,3-diphenylisoindole-2,5,6-triamine

1,3-diphenylisoindole-2,5,6-triamine (PubChem CID 67353834) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1,3-diphenylisoindole-2,5,6-triamine.

Molecular Properties

Compound Name1,3-diphenylisoindole-2,5,6-triamine
PubChem CID67353834
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name1,3-diphenylisoindole-2,5,6-triamine
SMILESNc1cc2c(-c3ccccc3)n(N)c(-c3ccccc3)c2cc1N
InChIInChI=1S/C20H18N4/c21-17-11-15-16(12-18(17)22)20(14-9-5-2-6-10-14)24(23)19(15)13-7-3-1-4-8-13/h1-12H,21-23H2
InChIKeyVAHCDSFPLFCFGS-UHFFFAOYSA-N
XLogP3.85
TPSA82.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylisoindole-2,5,6-triamine?
The IUPAC name of 1,3-diphenylisoindole-2,5,6-triamine (CID 67353834) is 1,3-diphenylisoindole-2,5,6-triamine.
What is the SMILES notation for 1,3-diphenylisoindole-2,5,6-triamine?
The canonical SMILES for 1,3-diphenylisoindole-2,5,6-triamine is Nc1cc2c(-c3ccccc3)n(N)c(-c3ccccc3)c2cc1N.
What is the InChIKey of 1,3-diphenylisoindole-2,5,6-triamine?
The InChIKey is VAHCDSFPLFCFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c21-17-11-15-16(12-18(17)22)20(14-9-5-2-6-10-14)24(23)19(15)13-7-3-1-4-8-13/h1-12H,21-23H2.
What are the key properties of 1,3-diphenylisoindole-2,5,6-triamine?
1,3-diphenylisoindole-2,5,6-triamine has a molecular weight of 314.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylisoindole-2,5,6-triamine is sourced from PubChem (CID 67353834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).