1-{4-[4'-(1,2,4-triazol-1-yl)-[1,1'-biphenyl]-4-yl]phenyl}-1,2,4-triazole

1-{4-[4'-(1,2,4-triazol-1-yl)-[1,1'-biphenyl]-4-yl]phenyl}-1,2,4-triazole

CAS: 1663497-64-0

Formula: C22H16N6

SMILES: C1=NN(C=N1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)N1C=NC=N1

IUPAC: 1-{4-[4'-(1H-1,2,4-triazol-1-yl)-[1,1'-biphenyl]-4-yl]phenyl}-1H-1,2,4-triazole

InChI: InChI=1S/C22H16N6/c1-2-18(20-7-11-22(12-8-20)28-16-24-14-26-28)4-3-17(1)19-5-9-21(10-6-19)27-15-23-13-25-27/h1-16H

Composition: C (72.51%), H (4.43%), N (23.06%)

Molar Mass: 364.412

Atom Count: 44

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	364.143644539
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AURBBGWXESBKMT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.4
Topological Polar Surface Area	61.42
Polarizability	44.76
Ring Count	5
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1663497-64-0		$68.09-$300.12$68.09$122.32$300.12