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148172-24-1 | Benzene, 1,3,5-tris[(1E)-2-[3,4,5-tris(dodecyloxy)phenyl]ethenyl]-
CAS No: 148172-24-1 Catalog No: AG001FIB MDL No:
Product Description
Catalog Number:
AG001FIB
Chemical Name:
Benzene, 1,3,5-tris[(1E)-2-[3,4,5-tris(dodecyloxy)phenyl]ethenyl]-
CAS Number:
148172-24-1
Molecular Formula:
C138H240O9
Molecular Weight:
2043.3768
IUPAC Name:
5-[2-[3,5-bis[2-(3,4,5-tridodecoxyphenyl)ethenyl]phenyl]ethenyl]-1,2,3-tridodecoxybenzene
InChI:
InChI=1S/C138H240O9/c1-10-19-28-37-46-55-64-73-82-91-106-139-130-118-127(119-131(140-107-92-83-74-65-56-47-38-29-20-11-2)136(130)145-112-97-88-79-70-61-52-43-34-25-16-7)103-100-124-115-125(101-104-128-120-132(141-108-93-84-75-66-57-48-39-30-21-12-3)137(146-113-98-89-80-71-62-53-44-35-26-17-8)133(121-128)142-109-94-85-76-67-58-49-40-31-22-13-4)117-126(116-124)102-105-129-122-134(143-110-95-86-77-68-59-50-41-32-23-14-5)138(147-114-99-90-81-72-63-54-45-36-27-18-9)135(123-129)144-111-96-87-78-69-60-51-42-33-24-15-6/h100-105,115-123H,10-99,106-114H2,1-9H3
InChI Key:
RXXKJBREFAIKAO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cc(/C=C/c2cc(/C=C/c3cc(OCCCCCCCCCCCC)c(c(c3)OCCCCCCCCCCCC)OCCCCCCCCCCCC)cc(c2)/C=C/c2cc(OCCCCCCCCCCCC)c(c(c2)OCCCCCCCCCCCC)OCCCCCCCCCCCC)cc(c1OCCCCCCCCCCCC)OCCCCCCCCCCCC
Properties
Complexity:
2280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
2042.836g/mol
Formal Charge:
0
Heavy Atom Count:
147
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
2043.429g/mol
Monoisotopic Mass:
2041.832g/mol
Rotatable Bond Count:
114
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
58.7
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