5,10,15-tris(4-nitrophenyl)corrole

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5,10,15-tris(4-nitrophenyl)corrole

5,10,15-tris(4-nitrophenyl)corrole | 326472-00-8

Catalog Number A14-0052
Category Calcium, Chloride Indictors and Other indicators
Molecular Formula C37H23N7O6
Molecular Weight 661.634
Catalog Number Size Price Quantity
A14-0052 -- $--

Product Introduction

5,10,15-tris(4-nitrophenyl)corrole is a corrole derivative that is used as a trianionic ligand for transition metals.

Chemical Information

Synonyms 5,10,15-Tris(4-nitrophenyl)-23-dehydro-24H-corrole; 1,2,3,7,8,12,13,17,18,19-Decadehydro-21,22-dihydro-5,10,15-tris(4-nitrophenyl)corrin
IUPAC Name 5,10,15-tris(4-nitrophenyl)-22,24-dihydro-21H-corrin
Canonical SMILES C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)[N+](=O)[O-])N3)[N+](=O)[O-]
InChI InChI=1S/C37H23N7O6/c45-42(46)24-7-1-21(2-8-24)35-29-15-13-27(38-29)28-14-16-30(39-28)36(22-3-9-25(10-4-22)43(47)48)32-18-20-34(41-32)37(33-19-17-31(35)40-33)23-5-11-26(12-6-23)44(49)50/h1-20,38-40H
InChI Key YFPJYBRBJOHNHS-UHFFFAOYSA-N
  • Product Specification
Storage Store at -20°C

Computed Properties

XLogP3 8.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 661.17098148 g/mol
Monoisotopic Mass 661.17098148 g/mol
Topological Polar Surface Area 198Ų
Heavy Atom Count 50
Formal Charge 0
Complexity 1220
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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