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Home > Indoles and Oxindole > 99124-53-5
99124-53-5 | 1H-Indole, 3-methyl-1-[3-(1-pyrenyl)propyl]-
CAS No: 99124-53-5 Catalog No: AG005T0V MDL No:
Product Description
Catalog Number:
AG005T0V
Chemical Name:
1H-Indole, 3-methyl-1-[3-(1-pyrenyl)propyl]-
CAS Number:
99124-53-5
Molecular Formula:
C28H23N
Molecular Weight:
373.4889
IUPAC Name:
3-methyl-1-(3-pyren-1-ylpropyl)indole
InChI:
InChI=1S/C28H23N/c1-19-18-29(26-10-3-2-9-24(19)26)17-5-8-20-11-12-23-14-13-21-6-4-7-22-15-16-25(20)28(23)27(21)22/h2-4,6-7,9-16,18H,5,8,17H2,1H3
InChI Key:
YWEZCUDLMNZDLO-UHFFFAOYSA-N
SMILES:
Cc1cn(c2c1cccc2)CCCc1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.183g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.499g/mol
Monoisotopic Mass:
373.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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