4-[bis(3,6-ditert-butylazulen-1-yl)methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[bis(3,6-ditert-butylazulen-1-yl)methyl]-N,N-dimethyl-aniline Openeye Name: 4-[bis(3,6-ditert-butylazulen-1-yl)methyl]-N,N-dimethyl-aniline CAS Name: 4-[bis(3,6-ditert-butyl-1-azulenyl)methyl]-N,N-dimethylaniline IUPAC Name: 4-[bis(3,6-ditert-butylazulen-1-yl)methyl]-N,N-dimethylaniline Traditional Name: [4-[bis(3,6-ditert-butylazulen-1-yl)methyl]phenyl]-dimethyl-amine Formula: C45H57N MolecularWeight: 611.94078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(C3=CC=C(C=C3)N(C)C)C4=C5C=CC(=CC=C5C(=C4)C(C)(C)C)C(C)(C)C)C=C1

Isomeric SMILES

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(C3=CC=C(C=C3)N(C)C)C4=C5C=CC(=CC=C5C(=C4)C(C)(C)C)C(C)(C)C)C=C1

InChI

InChI=1S/C45H57N/c1-42(2,3)30-17-23-33-35(25-19-30)39(44(7,8)9)27-37(33)41(29-15-21-32(22-16-29)46(13)14)38-28-40(45(10,11)12)36-26-20-31(43(4,5)6)18-24-34(36)38/h15-28,41H,1-14H3