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Home > Indoles and Oxindole > 828256-11-7
828256-11-7 | 1H-Indole, 2,2'-(phenylphosphinidene)bis[3-methyl-1-(phenylmethyl)-
CAS No: 828256-11-7 Catalog No: AG004XLS MDL No:
Product Description
Catalog Number:
AG004XLS
Chemical Name:
1H-Indole, 2,2'-(phenylphosphinidene)bis[3-methyl-1-(phenylmethyl)-
CAS Number:
828256-11-7
Molecular Formula:
C38H33N2P
Molecular Weight:
548.6558
IUPAC Name:
bis(1-benzyl-3-methylindol-2-yl)-phenylphosphane
InChI:
InChI=1S/C38H33N2P/c1-28-33-22-12-14-24-35(33)39(26-30-16-6-3-7-17-30)37(28)41(32-20-10-5-11-21-32)38-29(2)34-23-13-15-25-36(34)40(38)27-31-18-8-4-9-19-31/h3-25H,26-27H2,1-2H3
InChI Key:
WXVJHSLMNKNTQS-UHFFFAOYSA-N
SMILES:
Cc1c(P(c2c(C)c3c(n2Cc2ccccc2)cccc3)c2ccccc2)n(c2c1cccc2)Cc1ccccc1
Properties
Complexity:
755
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
548.238g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
548.67g/mol
Monoisotopic Mass:
548.238g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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