Home Other Building Blocks Meso-tetra(2-methylphenyl) porphine

Meso-tetra(2-methylphenyl) porphine

CAS No.:
37083-40-2
Catalog Number:
AG00C99D
Molecular Formula:
C48H38N4
Molecular Weight:
670.8421
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$363
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Product Description
Catalog Number:
AG00C99D
Chemical Name:
Meso-tetra(2-methylphenyl) porphine
CAS Number:
37083-40-2
Molecular Formula:
C48H38N4
Molecular Weight:
670.8421
MDL Number:
MFCD01074421
IUPAC Name:
5,10,15,20-tetrakis(2-methylphenyl)-21,23-dihydroporphyrin
InChI:
InChI=1S/C48H38N4/c1-29-13-5-9-17-33(29)45-37-21-23-39(49-37)46(34-18-10-6-14-30(34)2)41-25-27-43(51-41)48(36-20-12-8-16-32(36)4)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-19-11-7-15-31(35)3/h5-28,49,52H,1-4H3
InChI Key:
HAWDQBQCYGNAFT-UHFFFAOYSA-N
SMILES:
Cc1ccccc1/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccccc1C)/C=C3)\c1ccccc1C)/[nH]2)/c1ccccc1C
Properties
Complexity:
985  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
670.31g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
670.86g/mol
Monoisotopic Mass:
670.31g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.9  
Properties