AG009235

1047684-56-9 | 2,2'-Bipyridine, 4,4'-bis(5-hexyl-2-thienyl)-

AG009235

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CAS Number	1047684-56-9
Catalog Number	AG009235(AGN-PC-0CFCI3)
Chemical Name	2,2'-Bipyridine, 4,4'-bis(5-hexyl-2-thienyl)-
IUPAC Name	4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)pyridin-2-yl]pyridine
InChI	InChI=1S/C30H36N2S2/c1-3-5-7-9-11-25-13-15-29(33-25)23-17-19-31-27(21-23)28-22-24(18-20-32-28)30-16-14-26(34-30)12-10-8-6-4-2/h13-22H,3-12H2,1-2H3
InChI Key	DCFNCZSDXIPGOQ-UHFFFAOYSA-N
MDL Number	MFCD22581259
Molecular Formula	C30H36N2S2
Molecular Weight	488.7502
SMILES	CCCCCCC1=CC=C(C2=CC(C3=NC=CC(C4=CC=C(CCCCCC)S4)=C3)=NC=C2)S1
Synonyms	4,4'-Bis(5-hexylthiophen-2-yl)-2,2'-bipyridine, 1047684-56-9, 4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridine, 4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridyl, SCHEMBL13859420, DTXSID90729334, C30H36N2S2, 1060AA, MFCD22581259, ZINC91297347, AK120398, SY055673, AJ-129392, AX8245814, B4420, ST24042494, MFCD22581259 (97%), 2,2-Bipyridine, 4,4-bis(5-hexyl-2-thienyl)-, 4,4 inverted exclamation mark -Bis(5-hexyl-2-thienyl)-2,2 inverted exclamation mark -bipyridyl,

Complexity	510
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	488.232g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	488.752g/mol
Monoisotopic Mass	488.232g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	82.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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