1,4,7-Tris(pyrrole-2ylmethyl)-1,4,7-triazacyclononane

HCID 22498096
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Basic information

Standard SMILES
c1c[nH]c(CN2CCN(Cc3ccc[nH]3)CCN(Cc3ccc[nH]3)CC2)c1
InChIKey
DPYXDIFSQJIGSJ-UHFFFAOYSA-N
Molecular formula
C21H30N6
Average molar mass
366.5 g/mol

Names & identifiers

Preferred name
1,4,7-Tris(pyrrole-2ylmethyl)-1,4,7-triazacyclononane
IUPAC
1,4,7-tris(1H-pyrrol-2-ylmethyl)-1,4,7-triazonane

Names & synonyms

SCHEMBL3968181DPYXDIFSQJIGSJ-UHFFFAOYSA-N1,4,7-tris(pyrrole-2ylmethyl)-1,4,7-triazacyclononaneN,N',N''-Tris(-pyrrol-2-yl-methyl)-1,4,7-triazacyclononane

Database identifiers

PubChem CID
22498096

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
57.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
27

Related reactions

2 records
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Compound notes

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