3-[4-[8-[4-(3-azanylpropyl)phenyl]dibenzothiophen-2-yl]phenyl]propan-1-amine

Systemtic Name: 3-[4-[8-[4-(3-azanylpropyl)phenyl]dibenzothiophen-2-yl]phenyl]propan-1-amine Openeye Name: 3-[4-[8-[4-(3-aminopropyl)phenyl]dibenzothiophen-2-yl]phenyl]propan-1-amine CAS Name: 3-[4-[8-[4-(3-aminopropyl)phenyl]-2-dibenzothiophenyl]phenyl]-1-propanamine IUPAC Name: 3-[4-[8-[4-(3-aminopropyl)phenyl]dibenzothiophen-2-yl]phenyl]propan-1-amine Traditional Name: 3-[4-[8-[4-(3-aminopropyl)phenyl]dibenzothiophen-2-yl]phenyl]propylamine Formula: C30H30N2S MolecularWeight: 450.6376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCN)C2=CC3=C(C=C2)SC4=C3C=C(C=C4)C5=CC=C(C=C5)CCCN

Isomeric SMILES

C1=CC(=CC=C1CCCN)C2=CC3=C(C=C2)SC4=C3C=C(C=C4)C5=CC=C(C=C5)CCCN

InChI

InChI=1S/C30H30N2S/c31-17-1-3-21-5-9-23(10-6-21)25-13-15-29-27(19-25)28-20-26(14-16-30(28)33-29)24-11-7-22(8-12-24)4-2-18-32/h5-16,19-20H,1-4,17-18,31-32H2