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9,9'-(5-Bromo-1,3-phenylene)bis(9H-carbazole)

Catalog Number ACM750573241-2
CAS 750573-24-1
Synonyms 1-Bromo-3,5-bis(carbazol-9-yl)benzene
IUPAC Name 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole
Molecular Weight 487.39
Molecular Formula C30H19BrN2
Canonical SMILES C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC(=CC(=C4)Br)N5C6=CC=CC=C6C7=CC=CC=C75
InChI SJOKONNBSXFPSN-UHFFFAOYSA-N
InChI Key InChI=1S/C30H19BrN2/c31-20-17-21(32-27-13-5-1-9-23(27)24-10-2-6-14-28(24)32)19-22(18-20)33-29-15-7-3-11-25(29)26-12-4-8-16-30(26)33/h1-19H
Boiling Point 224.0 - 228.0 °C
Melting Point 224-228 °C
Purity 98%
Density 1.39 ± 0.1 g/ml
Appearance Solid
Complexity 597
Covalently-Bonded Unit Count 1
Exact Mass 486.07316g/mol
Formal Charge 0
Heavy Atom Count 33
Isomeric SMILES C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC(=CC(=C4)Br)N5C6=CC=CC=C6C7=CC=CC=C75
Monoisotopic Mass 486.07316g/mol
Rotatable Bond Count 2

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