2-phenylindole-4,6-diimine

C14H11N3 — CID 172713172

IUPAC2-phenylindole-4,6-diimine
SMILES[H]/N=C1\C=C2N=C(c3ccccc3)C=C2/C(=N/[H])C1
InChIInChI=1S/C14H11N3/c15-10-6-12(16)11-8-13(17-14(11)7-10)9-4-2-1-3-5-9/h1-5,7-8,15-16H,6H2/b15-10-,16-12+
InChIKeyFMZPOFLCKWIBEH-RWIOWDNPSA-N
MW221.26 g/mol
LogP2.74
Rot. Bonds1

About 2-phenylindole-4,6-diimine

2-phenylindole-4,6-diimine (PubChem CID 172713172) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-phenylindole-4,6-diimine.

Molecular Properties

Compound Name2-phenylindole-4,6-diimine
PubChem CID172713172
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name2-phenylindole-4,6-diimine
SMILES[H]/N=C1\C=C2N=C(c3ccccc3)C=C2/C(=N/[H])C1
InChIInChI=1S/C14H11N3/c15-10-6-12(16)11-8-13(17-14(11)7-10)9-4-2-1-3-5-9/h1-5,7-8,15-16H,6H2/b15-10-,16-12+
InChIKeyFMZPOFLCKWIBEH-RWIOWDNPSA-N
XLogP2.74
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylindole-4,6-diimine?
The IUPAC name of 2-phenylindole-4,6-diimine (CID 172713172) is 2-phenylindole-4,6-diimine.
What is the SMILES notation for 2-phenylindole-4,6-diimine?
The canonical SMILES for 2-phenylindole-4,6-diimine is [H]/N=C1\C=C2N=C(c3ccccc3)C=C2/C(=N/[H])C1.
What is the InChIKey of 2-phenylindole-4,6-diimine?
The InChIKey is FMZPOFLCKWIBEH-RWIOWDNPSA-N. The full InChI is InChI=1S/C14H11N3/c15-10-6-12(16)11-8-13(17-14(11)7-10)9-4-2-1-3-5-9/h1-5,7-8,15-16H,6H2/b15-10-,16-12+.
What are the key properties of 2-phenylindole-4,6-diimine?
2-phenylindole-4,6-diimine has a molecular weight of 221.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylindole-4,6-diimine is sourced from PubChem (CID 172713172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).