Structure

InChI Key HDZAQYPYABGTCL-UHFFFAOYSA-N
Smile C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
InChI
InChI=1S/C36H42N2/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3/q+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H42N2+2
Molecular Weight 502.75
AlogP 8.24
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 0.0
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 38.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135804
ChEMBL CHEMBL1201349
DrugBank DB00941
DrugCentral 1365
FDA SRS 55W5L6G81R
PubChem 3601
SureChEMBL SCHEMBL487495
ZINC ZINC000001566899