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191-54-8 | Diacenaphtho[1,2-l:1',2'-l']benzo[1,2-j:4,5-j']difluoranthene
CAS No: 191-54-8 Catalog No: AG002EZF MDL No:
Product Description
Catalog Number:
AG002EZF
Chemical Name:
Diacenaphtho[1,2-l:1',2'-l']benzo[1,2-j:4,5-j']difluoranthene
CAS Number:
191-54-8
Molecular Formula:
C54H26
Molecular Weight:
674.7842
IUPAC Name:
pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene
InChI:
InChI=1S/C54H26/c1-9-27-13-5-21-35-43(27)31(17-1)47-39-25-41-42(26-40(39)48-32-18-2-10-28-14-6-22-36(44(28)32)52(48)51(35)47)50-34-20-4-12-30-16-8-24-38(46(30)34)54(50)53-37-23-7-15-29-11-3-19-33(45(29)37)49(41)53/h1-26H
InChI Key:
RATDALXLRZZKNR-UHFFFAOYSA-N
SMILES:
c1cc2cccc3c2c(c1)c1c2cc4c(cc2c2c(c31)c1cccc3c1c2ccc3)c1c(c2c4c3cccc4c3c2ccc4)c2c3c1cccc3ccc2
Properties
Complexity:
1270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
674.203g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
674.802g/mol
Monoisotopic Mass:
674.203g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.7
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