2,7-ditert-butyl-4,5,9,10-tetradeuterio-pyren-1-amine

Systemtic Name: 2,7-ditert-butyl-4,5,9,10-tetradeuterio-pyren-1-amine Openeye Name: 2,7-ditert-butyl-4,5,9,10-tetradeuterio-pyren-1-amine CAS Name: 2,7-ditert-butyl-4,5,9,10-tetradeuterio-1-pyrenamine IUPAC Name: 2,7-ditert-butyl-4,5,9,10-tetradeuteriopyren-1-amine Traditional Name: (2,7-ditert-butyl-4,5,9,10-tetradeuterio-pyren-1-yl)amine Formula: C24H27N MolecularWeight: 333.502527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C3C(=C1)C=CC4=CC(=C(C(=C43)C=C2)N)C(C)(C)C

Isomeric SMILES

[2H]C1=C(C2=CC(=C(C3=C2C4=C(C=C(C=C14)C(C)(C)C)C(=C3[2H])[2H])N)C(C)(C)C)[2H]

InChI

InChI=1S/C24H27N/c1-23(2,3)17-11-14-7-8-16-13-19(24(4,5)6)22(25)18-10-9-15(12-17)20(14)21(16)18/h7-13H,25H2,1-6H3/i7D,8D,9D,10D