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IZCZ-3 1mg

CAT: 0628-A20130-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A20130-1Size:1 mg
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CAS Number
2223019-53-0

Chemical Information

9-Ethyl-3-(1-(4-methoxyphenyl)-4,5-bis(4-(4-methylpiperazin-1-yl)phenyl)-1H-imidazol-2-yl)-9H-carbazole
CAS Number2223019-53-0
PubChem CID137628645
IUPAC Name9-ethyl-3-[1-(4-methoxyphenyl)-4,5-bis[4-(4-methylpiperazin-1-yl)phenyl]imidazol-2-yl]carbazole
Molecular FormulaC46H49N7O
Molecular Weight715.9
XLogP8.2
Topological Polar Surface Area44.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count54
Formal Charge0
Complexity1170
SMILES
CCN1C2=C(C=C(C=C2)C3=NC(=C(N3C4=CC=C(C=C4)OC)C5=CC=C(C=C5)N6CCN(CC6)C)C7=CC=C(C=C7)N8CCN(CC8)C)C9=CC=CC=C91
InChI
InChI=1S/C46H49N7O/c1-5-52-42-9-7-6-8-40(42)41-32-35(14-23-43(41)52)46-47-44(33-10-15-36(16-11-33)50-28-24-48(2)25-29-50)45(53(46)38-19-21-39(54-4)22-20-38)34-12-17-37(18-13-34)51-30-26-49(3)27-31-51/h6-23,32H,5,24-31H2,1-4H3
InChIKey
SETZGUYDZNTJCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Ethyl-3-(1-(4-methoxyphenyl)-4,5-bis(4-(4-methylpiperazin-1-yl)phenyl)-1H-imidazol-2-yl)-9H-carbazole
CAS: 2223019-53-0
CID: 137628645
Formula: C46H49N7O
MW: 715.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight715.9
XLogP38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass715.39985921
Monoisotopic Mass715.39985921
Topological Polar Surface Area44.9 Ų
Heavy Atom Count54
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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