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5,10,15,20-Tetrakis(4-ethynylphenyl)-21H,23H-porphine

5,10,15,20-Tetrakis(4-ethynylphenyl)-21H,23H-porphine

Inquiry

Molecular Formula:

C52H30N4

Molecular Weight:

710.82

CAS Number:

160240-15-3

Catalog Number:

160240-15-3

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

710.24704697

Monoisotopic Mass

710.24704697

Topological Polar Surface Area

57.4

Heavy Atom Count

Formal Charge

Complexity

1300

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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The dilution calculator equation

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