5,10,15,20-Tetrakis(4-ethynylphenyl)-21H,23H-porphine
Product Information
Molecular Formula
C52H30N4
Molecular Weight
710.82
Synonyms
5,10,15,20-tetra(4-ethynylphenyl)porphyrin; 5,10,15,20-tetrakis(4-ethynylphenyl)-21H,23H-Porphine; 5,10,15,20-tetra(4-ethynylphenyl) porphyrin; tetrakis(4-ethynylphenyl)porphyrin; 5-10-15-20-(tetra-4-ethynylphenyl)porphyrin; 5,10,15,20-Tetrakis(4-ethynylphenyl)-21H,23H-porphyrin; 5,10,15,20-Tetrakis(4-ethynylphenyl)-21H ,23H -porphine; 21H,?23H-?Porphine, 5,?10,?15,?20-?tetrakis(4-?ethynylphenyl)?-
IUPAC Name
5,10,15,20-tetrakis(4-ethynylphenyl)-21,23-dihydroporphyrin
SMILES
C#CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#C)C8=CC=C(C=C8)C#C)C=C4)C9=CC=C(C=C9)C#C)N3
InChI
InChI=1S/C52H30N4/c1-5-33-9-17-37(18-10-33)49-41-25-27-43(53-41)50(38-19-11-34(6-2)12-20-38)45-29-31-47(55-45)52(40-23-15-36(8-4)16-24-40)48-32-30-46(56-48)51(44-28-26-42(49)54-44)39-21-13-35(7-3)14-22-39/h1-4,9-32,53,56H
InChI Key
CWGZUDCLBKTFEM-UHFFFAOYSA-N
Purity
98%
Safety Information
Hazards
H302-H315-H319-H335
Precautionary Statement
P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
GHS Pictogram
GHS07
Signal Word
Warning
Computed Properties
XLogP3
11.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
8
Exact Mass
710.24704697
Monoisotopic Mass
710.24704697
Topological Polar Surface Area
57.4
Heavy Atom Count
56
Formal Charge
0
Complexity
1300
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2022325053-A1 | Method for the synthesis of a two-dimensional or quasi-two-dimensional polymer film, the two-dimensional or quasi-two-dimensional polymer film and the use | 2019-08-13 |
| US-8652360-B2 | Semiconductor nanocrystals | 2008-09-08 |
| US-2009188602-A1 | Method for grafting molecules of interest on inorganic surfaces, resulting surfaces and uses thereof | 2005-10-27 |
| US-7919046-B2 | Method for grafting molecules of interest on inorganic surfaces, resulting surfaces and uses thereof | 2005-10-27 |
