200,000+ products from a single source!
sales@angenechem.com
125299-79-8 | Phenol, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis[2,6-dibromo-
CAS No: 125299-79-8 Catalog No: AG000NFY MDL No:MFCD21608645
Product Description
Catalog Number:
AG000NFY
Chemical Name:
Phenol, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis[2,6-dibromo-
CAS Number:
125299-79-8
Molecular Formula:
C44H22Br8N4O4
Molecular Weight:
1309.9019
MDL Number:
MFCD21608645
IUPAC Name:
2,6-dibromo-4-[10,15,20-tris(3,5-dibromo-4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
InChI:
InChI=1S/C44H22Br8N4O4/c45-21-9-17(10-22(46)41(21)57)37-29-1-2-30(53-29)38(18-11-23(47)42(58)24(48)12-18)32-5-6-34(55-32)40(20-15-27(51)44(60)28(52)16-20)36-8-7-35(56-36)39(33-4-3-31(37)54-33)19-13-25(49)43(59)26(50)14-19/h1-16,53,56-60H
InChI Key:
HLEAALYDIBPCAV-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1O)Br)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1cc(Br)c(c(c1)Br)O)C=C3)c1cc(Br)c(c(c1)Br)O)[nH]2)c1cc(Br)c(c(c1)Br)O
Properties
Complexity:
1220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1309.503g/mol
Formal Charge:
0
Heavy Atom Count:
60
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
1309.916g/mol
Monoisotopic Mass:
1301.511g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.