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71410-72-5 | 5,15-di(4-pyridyl)-10,20-diphenylporphyrin
CAS No: 71410-72-5 Catalog No: AG00FCMM MDL No:MFCD16628185
Product Description
Catalog Number:
AG00FCMM
Chemical Name:
5,15-di(4-pyridyl)-10,20-diphenylporphyrin
CAS Number:
71410-72-5
Molecular Formula:
C42H28N6
Molecular Weight:
616.7119
MDL Number:
MFCD16628185
IUPAC Name:
5,15-diphenyl-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
InChI:
InChI=1S/C42H28N6/c1-3-7-27(8-4-1)39-31-11-15-35(45-31)41(29-19-23-43-24-20-29)37-17-13-33(47-37)40(28-9-5-2-6-10-28)34-14-18-38(48-34)42(30-21-25-44-26-22-30)36-16-12-32(39)46-36/h1-26,45,48H
InChI Key:
NDWPFDCJQAQASM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccncc1)/C=C3)\c1ccccc1)/[nH]2)/c1ccncc1
Properties
Complexity:
934
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
616.238g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
616.728g/mol
Monoisotopic Mass:
616.238g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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