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151256-86-9 | 21H,23H-Porphine, 5,15-dibromo-10,20-diphenyl-
CAS No: 151256-86-9 Catalog No: AG001N7H MDL No:MFCD09260447
Product Description
Catalog Number:
AG001N7H
Chemical Name:
21H,23H-Porphine, 5,15-dibromo-10,20-diphenyl-
CAS Number:
151256-86-9
Molecular Formula:
C32H20Br2N4
Molecular Weight:
620.3360
MDL Number:
MFCD09260447
IUPAC Name:
5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin
InChI:
InChI=1S/C32H20Br2N4/c33-31-25-15-11-21(35-25)29(19-7-3-1-4-8-19)22-12-16-26(36-22)32(34)28-18-14-24(38-28)30(20-9-5-2-6-10-20)23-13-17-27(31)37-23/h1-18,35,37H
InChI Key:
XBGDWJTUQWOPHM-UHFFFAOYSA-N
SMILES:
BrC1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccccc1)C=C3)Br)[nH]2)c1ccccc1
Properties
Complexity:
723
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
620.003g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
620.348g/mol
Monoisotopic Mass:
618.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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