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4,4',4'',4'''-(Porphine-5,10,15,20-tetrayl)tetrakis(benzoic acid)

4,4',4'',4'''-(Porphine-5,10,15,20-tetrayl)tetrakis(benzoic acid)

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Catalog Number

ACM14609542-3

CAS Number

14609-54-2

Product Name

4,4',4'',4'''-(Porphine-5,10,15,20-tetrayl)tetrakis(benzoic acid)

Structure

Category

Other Materials

IUPAC Name

4-[10,15,20-tris(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid

Molecular Weight

790.8g/mol

Molecular Formula

C48H30N4O8

Canonical SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=C(C=C9)C(=O)O)N3)C(=O)O

InChI

InChI=1S/C48H30N4O8/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)

InChI Key

HHDUMDVQUCBCEY-UHFFFAOYSA-N

Melting Point

>300 °C

Density

1.5 g/cu cm

Solubility

In water, 2.87X10-10 mg/L at 25 °C (est)

Color/Form

Dark blue to purple to black powder

Complexity

1310

Covalently-Bonded Unit Count

1

Exact Mass

790.206364g/mol

Formal Charge

0

Heavy Atom Count

60

Log P

log Kow = 10.97 (est)

MeSH Entry Terms

meso-tetra-(4-carboxyphenyl)porphine;TCPP;tetracarboxyphenylporphine

Monoisotopic Mass

790.206364g/mol

Other Experimental

Potent photosensitizers ... activated by visible light /Porphyrins/;Henry's Law constant = 7.15X10-43 atm-cu m/mol at 25 °C (est)

Refractive Index

Index of refraction: 1.734

Rotatable Bond Count

8

Stability

Stable under recommended storage conditions.

UNII

E9892W6IMC

Vapor Pressure

3.37 mm Hg at 25 °C (est)

XLogP3

8.5

MSDS

COA

Spec Sheet

Download Spec Sheet

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