1-({3,5-bis[(4-cyanopyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl}methyl)-4-cyanopyridin-1-ium tribromide

1-({3,5-bis[(4-cyanopyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl}methyl)-4-cyanopyridin-1-ium tribromide

Formula: C30H27Br3N6

SMILES: [Br-].[Br-].[Br-].CC1=C(C[N+]2=CC=C(C=C2)C#N)C(C)=C(C[N+]2=CC=C(C=C2)C#N)C(C)=C1C[N+]1=CC=C(C=C1)C#N

IUPAC: 1-({3,5-bis[(4-cyanopyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl}methyl)-4-cyanopyridin-1-ium tribromide

InChI: InChI=1S/C30H27N6.3BrH/c1-22-28(19-34-10-4-25(16-31)5-11-34)23(2)30(21-36-14-8-27(18-33)9-15-36)24(3)29(22)20-35-12-6-26(17-32)7-13-35;;;/h4-15H,19-21H2,1-3H3;3*1H/q+3;;;/p-3

Composition: C (50.66%), H (3.83%), Br (33.70%), N (11.82%)

Molar Mass: 711.3

Atom Count: 66

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	707.984734
Formal Charge	0
FSP3	0.2
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VJMRVHYOQNEWHC-UHFFFAOYSA-K
Lipinski's Rule of Five
Molar Refractivity	144.18
Topological Polar Surface Area	83.01
Polarizability	53.21
Ring Count	4
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C30H27Br3N6		Quote Only