200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 125594-05-0
125594-05-0 | Benzene, 1,2,3,4,5,6-hexakis[2-(4-pentylphenyl)ethynyl]-
CAS No: 125594-05-0 Catalog No: AG000NXA MDL No:
Product Description
Catalog Number:
AG000NXA
Chemical Name:
Benzene, 1,2,3,4,5,6-hexakis[2-(4-pentylphenyl)ethynyl]-
CAS Number:
125594-05-0
Molecular Formula:
C84H90
Molecular Weight:
1099.6134
IUPAC Name:
1,2,3,4,5,6-hexakis[2-(4-pentylphenyl)ethynyl]benzene
InChI:
InChI=1S/C84H90/c1-7-13-19-25-67-31-43-73(44-32-67)55-61-79-80(62-56-74-45-33-68(34-46-74)26-20-14-8-2)82(64-58-76-49-37-70(38-50-76)28-22-16-10-4)84(66-60-78-53-41-72(42-54-78)30-24-18-12-6)83(65-59-77-51-39-71(40-52-77)29-23-17-11-5)81(79)63-57-75-47-35-69(36-48-75)27-21-15-9-3/h31-54H,7-30H2,1-6H3
InChI Key:
LTZVHPBZYRJACU-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C#Cc1c(C#Cc2ccc(cc2)CCCCC)c(C#Cc2ccc(cc2)CCCCC)c(c(c1C#Cc1ccc(cc1)CCCCC)C#Cc1ccc(cc1)CCCCC)C#Cc1ccc(cc1)CCCCC
Properties
Complexity:
1790
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1098.704g/mol
Formal Charge:
0
Heavy Atom Count:
84
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1099.644g/mol
Monoisotopic Mass:
1098.704g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
28.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.