AG00BF3R

23491-55-6 | Hoechst 33258 analog 5

AG00BF3R

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CAS Number	23491-55-6
Catalog Number	AG00BF3R(AGN-PC-0QZRHR)
Chemical Name	Hoechst 33258 analog 5
IUPAC Name	6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
InChI	InChI=1S/C29H26N6/c1-34-12-14-35(15-13-34)23-9-11-25-27(18-23)33-29(31-25)22-8-10-24-26(17-22)32-28(30-24)21-7-6-19-4-2-3-5-20(19)16-21/h2-11,16-18H,12-15H2,1H3,(H,30,32)(H,31,33)
InChI Key	FJXFKDPHPUCTJZ-UHFFFAOYSA-N
MDL Number	MFCD25976772
Molecular Formula	C29H26N6
Molecular Weight	458.5569
SMILES	CN1CCN(C2=CC=C3N=C(C4=CC=C5N=C(C6=CC=C7C=CC=CC7=C6)NC5=C4)NC3=C2)CC1
Synonyms	Hoechst 33258 analog 5, 23491-55-6, CHEMBL177543, DTXSID70438078, ZINC13652039, AKOS030526743, CS-1316, HY-15628, W-6106, 2'-(2-Naphthyl)-5-(4-methylpiperazin-1-yl)-2,6'-bi[1H-benzimidazole], CID10321921, A15110, 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-2-yl-3H-benzoimidazol-5-yl)-1H-benzoimidazole,

Complexity	724
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	458.222g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	458.569g/mol
Monoisotopic Mass	458.222g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number