N1,N4-Di-9-acridinyl-1,4-piperazinedipropanamine

HCID 435901

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Basic information

CAS: 97614-84-1
Standard SMILES: c1ccc2c(NCCCN3CCN(CCCNc4c5ccccc5nc5ccccc45)CC3)c3ccccc3nc2c1
InChIKey: AAMSBOZZFRTUFD-UHFFFAOYSA-N
Molecular formula: C36H38N6
Average molar mass: 554.7 g/mol
Monoisotopic mass: 554.31579524

Names & identifiers

Preferred name: N1,N4-Di-9-acridinyl-1,4-piperazinedipropanamine
IUPAC: N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine

Names & synonyms

A1L8RCHEMBL38433RT8Q87F89TN1,N4-Di-9-acridinyl-1,4-piperazinedipropanamine1,4-Piperazinedipropanamine, N1,N4-di-9-acridinyl-N-[3-(4-{3-[(acridin-9-yl)amino]propyl}piperazin-1-yl)propyl]acridin-9-amine

Database identifiers

CAS: 97614-84-1
PubChem CID: 435901
ChEMBL: CHEMBL38433
UNII: RT8Q87F89T

Properties

Computed structural properties

XLogP: 7.4
Topological polar surface area: 56.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 42
Formal charge: 0
Complexity: 705

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