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71215-85-5 | 1(3H)-Isobenzofuranone,3-(1-butyl-2-methyl-1H-indol-3-yl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-
CAS No: 71215-85-5 Catalog No: AG006A2B MDL No:
Product Description
Catalog Number:
AG006A2B
Chemical Name:
1(3H)-Isobenzofuranone,3-(1-butyl-2-methyl-1H-indol-3-yl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-
CAS Number:
71215-85-5
Molecular Formula:
C32H32N2O2
Molecular Weight:
476.6087
IUPAC Name:
3-(1-butyl-2-methylindol-3-yl)-3-(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one
InChI:
InChI=1S/C32H32N2O2/c1-5-7-20-34-22(4)30(25-16-10-13-19-28(25)34)32(26-17-11-8-14-23(26)31(35)36-32)29-21(3)33(6-2)27-18-12-9-15-24(27)29/h8-19H,5-7,20H2,1-4H3
InChI Key:
XIWUAIKWSZMVNR-UHFFFAOYSA-N
SMILES:
CCCCn1c2ccccc2c(c1C)C1(OC(=O)c2c1cccc2)c1c2ccccc2n(c1C)CC
EC Number:
275-273-4
Properties
Complexity:
801
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.246g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.62g/mol
Monoisotopic Mass:
476.246g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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