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Aeol 10150

CAT: 0926-LLA47530-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-LLA47530-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
286475-30-7
MDL Number
MFCD30532574
Smiles
C1C (C2=CC=CC=C2NC1C3=CC=CC=C3) N
Molecular Formula
C48H56Cl5MnN12
Molecular Weight
1,033.2 g/mol
Controlled
No

Chemical Information

Aeol-10150

Aeol 10150 is an organic molecular entity.

CAS Number286475-30-7
PubChem CID10373834
IUPAC Namemanganese(3+);5,10,15-tris(1,3-diethylimidazol-1-ium-2-yl)-20-(1,3-diethylimidazol-2-ylidene)porphyrin-22-ide;pentachloride
Molecular FormulaC48H56Cl5MnN12
Molecular Weight1033.2
Topological Polar Surface Area71
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count66
Formal Charge0
Complexity1640
SMILES
CCN1C=CN(C1=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=[N+](C=CN7CC)CC)C8=[N+](C=CN8CC)CC)C=C4)C9=[N+](C=CN9CC)CC)C=C3)CC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn+3]
InChI
InChI=1S/C48H56N12.5ClH.Mn/c1-9-53-25-26-54(10-2)45(53)41-33-17-19-35(49-33)42(46-55(11-3)27-28-56(46)12-4)37-21-23-39(51-37)44(48-59(15-7)31-32-60(48)16-8)40-24-22-38(52-40)43(36-20-18-34(41)50-36)47-57(13-5)29-30-58(47)14-6;;;;;;/h17-32H,9-16H2,1-8H3;5*1H;/q+2;;;;;;+3/p-5
InChIKey
XMYHQLIAYLLEKT-UHFFFAOYSA-I
Chemical Structure
2D Structure
2D structure of Aeol-10150
CAS: 286475-30-7
CID: 10373834
Formula: C48H56Cl5MnN12
MW: 1033.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1033.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass1032.254446
Monoisotopic Mass1030.257396
Topological Polar Surface Area71 Ų
Heavy Atom Count66
Formal Charge0
Complexity1640
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count7
Compound Is CanonicalizedYes

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