6-[3-[2-[2-[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methylphenanthridin-5-ium-3,8-diamine dibromide

CAS: 79080-83-4

Molecular Formula	`C44H42Br2N6O3`
Molecular Weight	862.6 g/mol
Topological Polar Surface Area	140.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	862.16644
Heavy Atoms	55
Complexity	1080.0

Chemical Identifiers

CAS Number	79080-83-4
SMILES	`C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC(=CC=C4)OCCOCCOC5=CC=CC(=C5)C6=C7C=C(C=CC7=C8C=CC(=CC8=[N+]6C)N)N)N)N.[Br-].[Br-]`
InChIKey	`KVOAADWZAVKOLX-UHFFFAOYSA-N`

📖 Product Overview

6-[3-[2-[2-[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methylphenanthridin-5-ium-3,8-diamine dibromide (CAS: 79080-83-4) is a chemical compound with molecular formula C44H42Br2N6O3 and molecular weight 862.6 g/mol. Its IUPAC systematic name is 6-[3-[2-[2-[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methylphenanthridin-5-ium-3,8-diamine dibromide. Topological Polar Surface Area 140.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 10 Exact Mass 862.16644 Heavy Atoms 55 Complexity 1080.0 InChI Key: KVOAADWZAVKOLX-UHFFFAOYSA-N. SMILES: C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC(=CC=C4)OCCOCCOC5=CC=CC(=C5)C6=C7C=C(C=CC7=C8C=CC(=CC8=[N+]6C)N)N)N)N.[Br-].[Br-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 6-[3-[2-[2-[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methylphenanthridin-5-ium-3,8-diamine dibromide.

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