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Home Other Building Blocks Meso-tetra-(3,5-di-t-butylphenyl)porphine

Meso-tetra-(3,5-di-t-butylphenyl)porphine

CAS No.:
89372-90-7
Catalog Number:
AG003YV3
Molecular Formula:
C76H94N4
Molecular Weight:
1063.5864
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$1012
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Product Description
Catalog Number:
AG003YV3
Chemical Name:
Meso-tetra-(3,5-di-t-butylphenyl)porphine
CAS Number:
89372-90-7
Molecular Formula:
C76H94N4
Molecular Weight:
1063.5864
MDL Number:
MFCD01074423
IUPAC Name:
5,10,15,20-tetrakis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin
InChI:
InChI=1S/C76H94N4/c1-69(2,3)49-33-45(34-50(41-49)70(4,5)6)65-57-25-27-59(77-57)66(46-35-51(71(7,8)9)42-52(36-46)72(10,11)12)61-29-31-63(79-61)68(48-39-55(75(19,20)21)44-56(40-48)76(22,23)24)64-32-30-62(80-64)67(60-28-26-58(65)78-60)47-37-53(73(13,14)15)43-54(38-47)74(16,17)18/h25-44,77,80H,1-24H3
InChI Key:
QDJDXOLMFCSORQ-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1)C(C)(C)C)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)C=C3)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]2)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C
NSC Number:
634741
Properties
Complexity:
1640  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1062.748g/mol
Formal Charge:
0
Heavy Atom Count:
80  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
1063.616g/mol
Monoisotopic Mass:
1062.748g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
23.8  
Properties