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86864-04-2 | 1H-Pyrrole, 3-(2,3-dimethyl-2-butenyl)-2,5-diphenyl-
CAS No: 86864-04-2 Catalog No: AG004M6W MDL No:
Product Description
Catalog Number:
AG004M6W
Chemical Name:
1H-Pyrrole, 3-(2,3-dimethyl-2-butenyl)-2,5-diphenyl-
CAS Number:
86864-04-2
Molecular Formula:
C22H23N
Molecular Weight:
301.4247
IUPAC Name:
3-(2,3-dimethylbut-2-enyl)-2,5-diphenyl-1H-pyrrole
InChI:
InChI=1S/C22H23N/c1-16(2)17(3)14-20-15-21(18-10-6-4-7-11-18)23-22(20)19-12-8-5-9-13-19/h4-13,15,23H,14H2,1-3H3
InChI Key:
WBLOCRMGWXZHPP-UHFFFAOYSA-N
SMILES:
CC(=C(Cc1cc([nH]c1c1ccccc1)c1ccccc1)C)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.183g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.433g/mol
Monoisotopic Mass:
301.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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