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Home > Indoles and Oxindole > 119980-36-8
119980-36-8 | Spiro[2H-indole-2,2'-[2H]phenanthro[9,10-b][1,4]oxazine], 1,3-dihydro-1,3,3-trimethyl-
CAS No: 119980-36-8 Catalog No: AG000PYZ MDL No:
Product Description
Catalog Number:
AG000PYZ
Chemical Name:
Spiro[2H-indole-2,2'-[2H]phenanthro[9,10-b][1,4]oxazine], 1,3-dihydro-1,3,3-trimethyl-
CAS Number:
119980-36-8
Molecular Formula:
C26H22N2O
Molecular Weight:
378.4657
IUPAC Name:
1,3,3-trimethylspiro[indole-2,2'-phenanthro[9,10-b][1,4]oxazine]
InChI:
InChI=1S/C26H22N2O/c1-25(2)21-14-8-9-15-22(21)28(3)26(25)16-27-23-19-12-6-4-10-17(19)18-11-5-7-13-20(18)24(23)29-26/h4-16H,1-3H3
InChI Key:
JTRRHUVYCPAWOM-UHFFFAOYSA-N
SMILES:
CN1c2ccccc2C(C21C=Nc1c(O2)c2ccccc2c2c1cccc2)(C)C
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.173g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.475g/mol
Monoisotopic Mass:
378.173g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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