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10229-34-2 | 4aH-Fluorene-4-carbonitrile, 4a-methyl-1,3,9-triphenyl-
CAS No: 10229-34-2 Catalog No: AG00074I MDL No:
Product Description
Catalog Number:
AG00074I
Chemical Name:
4aH-Fluorene-4-carbonitrile, 4a-methyl-1,3,9-triphenyl-
CAS Number:
10229-34-2
Molecular Formula:
C33H23N
Molecular Weight:
433.5424
IUPAC Name:
4a-methyl-1,3,9-triphenylfluorene-4-carbonitrile
InChI:
InChI=1S/C33H23N/c1-33-29-20-12-11-19-26(29)31(25-17-9-4-10-18-25)32(33)28(24-15-7-3-8-16-24)21-27(30(33)22-34)23-13-5-2-6-14-23/h2-21H,1H3
InChI Key:
XTNILCNQOGYDCC-UHFFFAOYSA-N
SMILES:
N#CC1=C(C=C(C2=C(c3c(C12C)cccc3)c1ccccc1)c1ccccc1)c1ccccc1
NSC Number:
157841
Properties
Complexity:
919
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.183g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
433.554g/mol
Monoisotopic Mass:
433.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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