200,000+ products from a single source!

sales@angenechem.com

Home > Pyridines > 133314-07-5

133314-07-5

133314-07-5 | Iron(5+), [[4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl-κN21,κN22,κN23,κN24)tetrakis[1-methylpyridiniumato]](2-)]-, chloride (1:5), (SP-4-1)-

CAS No: 133314-07-5 Catalog No: AG0014ME MDL No:MFCD00274429

Product Description

Catalog Number:
AG0014ME
Chemical Name:
Iron(5+), [[4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl-κN21,κN22,κN23,κN24)tetrakis[1-methylpyridiniumato]](2-)]-, chloride (1:5), (SP-4-1)-
CAS Number:
133314-07-5
Molecular Formula:
C45H62N8
Molecular Weight:
715.0274
MDL Number:
MFCD00274429
IUPAC Name:
7,12,17,24-tetrakis(1-methylpiperidin-4-yl)-2,22,23,25-tetrazaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3,5,7,12,14,16,21(24)-heptaene
InChI:
InChI=1S/C45H62N8/c1-46-21-13-29(14-22-46)41-33-5-7-35-42(30-15-23-47(2)24-16-30)37-9-11-39-44(32-19-27-49(4)28-20-32)40-12-10-38-43(31-17-25-48(3)26-18-31)36-8-6-34(41)51(36)45(50(33)35,52(37)39)53(38)40/h5,7,10,12,29-32,34,37H,6,8-9,11,13-28H2,1-4H3
InChI Key:
VTKLWUKNBYRMDP-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)C1=C2CCC3N2C24n5c1ccc5C(=C1N2C(CC1)C(=c1n4c(=C3C2CCN(CC2)C)cc1)C1CCN(CC1)C)C1CCN(CC1)C

Properties

Complexity:
1590  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
714.51g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
715.047g/mol
Monoisotopic Mass:
714.51g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

Related Products

© 2019 Angene International Limited. All rights Reserved.