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14945-24-5 | Benzenamine, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis[N,N-dimethyl-
CAS No: 14945-24-5 Catalog No: AG001LPQ MDL No:
Product Description
Catalog Number:
AG001LPQ
Chemical Name:
Benzenamine, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis[N,N-dimethyl-
CAS Number:
14945-24-5
Molecular Formula:
C52H50N8
Molecular Weight:
787.0070
IUPAC Name:
N,N-dimethyl-4-[10,15,20-tris[4-(dimethylamino)phenyl]-21,23-dihydroporphyrin-5-yl]aniline
InChI:
InChI=1S/C52H50N8/c1-57(2)37-17-9-33(10-18-37)49-41-25-27-43(53-41)50(34-11-19-38(20-12-34)58(3)4)45-29-31-47(55-45)52(36-15-23-40(24-16-36)60(7)8)48-32-30-46(56-48)51(44-28-26-42(49)54-44)35-13-21-39(22-14-35)59(5)6/h9-32,53,56H,1-8H3
InChI Key:
ONCMAEBURQZDQU-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)N(C)C)C=C3)c1ccc(cc1)N(C)C)[nH]2)c1ccc(cc1)N(C)C)C
Properties
Complexity:
1130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
786.416g/mol
Formal Charge:
0
Heavy Atom Count:
60
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
787.028g/mol
Monoisotopic Mass:
786.416g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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