Silsesquioxanes,Me

Product Information

Molecular Formula:
C66H56N4
Molecular Weight:
0
Synonyms
POLY(METHYLSILSESQUIOXANE); Siliconeoilemulsion284P; Silsesquioxanes,me; poly(methylsilsesquioxane),100%methyl; METHYLSILSESQUIOXANE; POLY(METHYLSILSESQUIOXANE): 4.0-6.0% OH; POLY(METHYLSILSESQUIOXANE): 100% METHYL, 2.5-4% OH; POLY(PHENYL-VINYLSILSESQUIOXANE):
IUPAC Name
N'-[1-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)prop-1-enyl]-4-[9-[6-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]carbazole-9-carboximidamide
Canonical SMILES
CC1=CC=CC=C1C2=C(C(=CCC2)N3C4=C(C=C(C=C4)C5=C6C7=CC=CC=C7N(C6=CC=C5)C(=NC(=CCC8=CC=C(C=C8)C9=CC=CC=C9)C1=CCC(C=C1)C1=CCCC=C1)N)C1=CC=CC=C13)C
InChI
InChI=1S/C66H56N4/c1-44-17-9-10-22-53(44)54-25-15-29-60(45(54)2)69-61-27-13-11-23-56(61)58-43-52(40-42-63(58)69)55-26-16-30-64-65(55)57-24-12-14-28-62(57)70(64)66(67)68-59(51-38-36-50(37-39-51)48-20-7-4-8-21-48)41-33-46-31-34-49(35-32-46)47-18-5-3-6-19-47/h3,5-7,9-14,16-24,26-32,34-36,38-43,50H,4,8,15,25,33,37H2,1-2H3,(H2,67,68)
InChI Key
IYKSBVLUZFFSST-UHFFFAOYSA-N
Density
1,08 g/cm3
Concentration
100% Methyl

Computed Properties

XLogP3
15.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
10
Exact Mass
904.45049780 g/mol
Monoisotopic Mass
904.45049780 g/mol
Topological Polar Surface Area
48.2Ų
Heavy Atom Count
70
Formal Charge
0
Complexity
2100
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
1
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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