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128890-04-0 | 1-Naphthalenol, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-
CAS No: 128890-04-0 Catalog No: AG000YGF MDL No:
Product Description
Catalog Number:
AG000YGF
Chemical Name:
1-Naphthalenol, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-
CAS Number:
128890-04-0
Molecular Formula:
C60H38N4O4
Molecular Weight:
878.9681
IUPAC Name:
4-(21,22-dihydroporphyrin-2-yl)naphthalen-1-ol
InChI:
InChI=1S/C30H20N4O/c35-30-12-11-26(25-3-1-2-4-27(25)30)28-16-24-15-22-8-7-20(32-22)13-18-5-6-19(31-18)14-21-9-10-23(33-21)17-29(28)34-24/h1-17,32,34-35H
InChI Key:
IHDYQVGCLCRGPK-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1cccc2)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(c4c1cccc4)O)C=C3)c1ccc(c3c1cccc3)O)[nH]2)c1ccc(c2c1cccc2)O
Properties
Complexity:
733
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.164g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
452.517g/mol
Monoisotopic Mass:
452.164g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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