1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

manganese;(5E,9E,15E,19E)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-2-yl)porphyrin-21,22,23,24-tetraide

2.1.2 InChI

InChI=1S/C44H36N8.Mn/c1-49-25-9-5-13-37(49)41-29-17-19-31(45-29)42(38-14-6-10-26-50(38)2)33-21-23-35(47-33)44(40-16-8-12-28-52(40)4)36-24-22-34(48-36)43(32-20-18-30(41)46-32)39-15-7-11-27-51(39)3;/h5-28H,1-4H3;

2.1.3 InChI Key

DXHJXLHLSXSNJM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C[N+]1=CC=CC=C1C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=C(C6=CC=C2[N-]6)C7=CC=CC=[N+]7C)[N-]5)C8=CC=CC=[N+]8C)C9=CC=CC=[N+]9C)[N-]3.[Mn]

2.1.5 Isomeric SMILES

C[N+]1=CC=CC=C1/C/2=C\3/[N-]/C(=C(\C4=CC=C([N-]4)/C(=C/5\[N-]/C(=C(\C6=CC=C2[N-]6)/C7=CC=CC=[N+]7C)/C=C5)/C8=CC=CC=[N+]8C)/C9=CC=CC=[N+]9C)/C=C3.[Mn]

2.2 Create Date

2007-11-13

3 Chemical and Physical Properties

Molecular Formula	C₄₄H₃₆MnN₈
Molecular Weight	731.7 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	731.244336 g/mol
Monoisotopic Mass	731.244336 g/mol
Topological Polar Surface Area	19.5 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	1270
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Mntm-2-Pyp

Mntm-2-Pyp

ACCESS ALL DATA

Browse all information

CHEMISTRY

Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers

1 USDMF

Filters