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922174-66-1 | 5H-Pyrido[3,2-b]indole, 5,5'-[1,1'-biphenyl]-4,4'-diylbis[8-ethenyl-
CAS No: 922174-66-1 Catalog No: AG00622E MDL No:
Product Description
Catalog Number:
AG00622E
Chemical Name:
5H-Pyrido[3,2-b]indole, 5,5'-[1,1'-biphenyl]-4,4'-diylbis[8-ethenyl-
CAS Number:
922174-66-1
Molecular Formula:
C38H26N4
Molecular Weight:
538.6398
IUPAC Name:
8-ethenyl-5-[4-[4-(8-ethenylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
InChI:
InChI=1S/C38H26N4/c1-3-25-9-19-33-31(23-25)37-35(7-5-21-39-37)41(33)29-15-11-27(12-16-29)28-13-17-30(18-14-28)42-34-20-10-26(4-2)24-32(34)38-36(42)8-6-22-40-38/h3-24H,1-2H2
InChI Key:
QNWWJHPKEFMXRS-UHFFFAOYSA-N
SMILES:
C=Cc1ccc2c(c1)c1ncccc1n2c1ccc(cc1)c1ccc(cc1)n1c2cccnc2c2c1ccc(c2)C=C
Properties
Complexity:
873
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.216g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
538.654g/mol
Monoisotopic Mass:
538.216g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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