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Chemical Product CAS:5878-82-04'-phenyl-1'-(3-phenylacryloyl)-3'-(phenylcarbonyl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one

CAS:5878-82-0
4'-phenyl-1'-(3-phenylacryloyl)-3'-(phenylcarbonyl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one

  • CAS No:

    5878-82-0
  • Name:

    4'-phenyl-1'-(3-phenylacryloyl)-3'-(phenylcarbonyl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
  • Molecular Formula:

    C33H26N2O3
  • Molecular Weight:

    498.5711
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4'-phenyl-1'-(3-phenylacryloyl)-3'-(phenylcar ( CASNO:5878-82-0 )

Identification and Related Records
Name:
4'-phenyl-1'-(3-phenylacryloyl)-3'-(phenylcarbonyl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
CAS Registry number:
5878-82-0
Iupac name:
3'-benzoyl-4'-phenyl-1'-(3-phenylprop-2-enoyl)spiro[1H-indole-3,
2'-pyrrolidine]-2-one
Synonyms:
AC1NQAFB
3'
-benzoyl-4'
-phenyl-1'
-(3-phenylprop-2-enoyl)spiro[1H-indole-3,2'
-pyrrolidine]-2-one
5878-82-0
Molecular Formula:
C33H26N2O3
Molecular Weight:
498.5711
Inchi:
InChI=1/C33H26N2O3/c36-29(21-20-23-12-4-1-5-13-23)35-22-26(24-14-6-2-7-15-24)30(31(37)25-16-8-3-9-17-25)33(35)27-18-10-11-19-28(27)34-32(33)38/h1-21,26,30H,22H2,(H,34,38)
Canonical SMILES:
C1C(C(C2(N1C(=O)C=CC3=CC=CC=C3)C4=CC=CC=C4NC2=O)C(=O)C5=CC=CC=C5)C6=CC=CC=C6
Chemical and Physical Properties
Density:
1.32g/cm3
Boiling Point:
773.2°C at 760 mmHg
Refractive Index:
1.705
Flash Point:
421.4°C
Computed Properties:
Molecular Weight:498.57114 [g/mol]
Molecular Formula:C33H26N2O3
XLogP3-AA:5.2
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:5
Tautomer Count:4
Exact Mass:498.194343
MonoIsotopic Mass:498.194343
Topological Polar Surface Area:66.5
Heavy Atom Count:38
Formal Charge:0
Complexity:911
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Ring Count:6
Effective Rotor Count:7
Conformer Sampling RMSD:1
CID Conformer Count:174
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