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114456-65-4 | 11H-Benzo[a]carbazole, 11-butyl-5-(2,2-diphenylethenyl)-8-methoxy-
CAS No: 114456-65-4 Catalog No: AG000EFD MDL No:
Product Description
Catalog Number:
AG000EFD
Chemical Name:
11H-Benzo[a]carbazole, 11-butyl-5-(2,2-diphenylethenyl)-8-methoxy-
CAS Number:
114456-65-4
Molecular Formula:
C35H31NO
Molecular Weight:
481.6267
IUPAC Name:
11-butyl-5-(2,2-diphenylethenyl)-8-methoxybenzo[a]carbazole
InChI:
InChI=1S/C35H31NO/c1-3-4-21-36-34-20-19-28(37-2)24-32(34)33-23-27(29-17-11-12-18-30(29)35(33)36)22-31(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-20,22-24H,3-4,21H2,1-2H3
InChI Key:
HZHWFUNRNNCZAW-UHFFFAOYSA-N
SMILES:
CCCCn1c2ccc(cc2c2c1c1ccccc1c(c2)C=C(c1ccccc1)c1ccccc1)OC
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.241g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
481.639g/mol
Monoisotopic Mass:
481.241g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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