CAS 2222-33-5

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Also known as: Dibenzosuberenone, 2222-33-5, 5-dibenzosuberenone, 5h-dibenzo[a,d][7]annulen-5-one, 5h-dibenzo(a,d)cyclohepten-5-one, Dibenzo[a,d]cyclohepten-5-one

Molecular Formula

C₁₅H₁₀O

Molecular Weight

206.24 g/mol

InChI Key

SNVTZAIYUGUKNI-UHFFFAOYSA-N

FDA UNII

XQJHQ6T1YB

1 2D Structure

CAS 2222-33-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one

2.1.2 InChI

InChI=1S/C15H10O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10H

2.1.3 InChI Key

SNVTZAIYUGUKNI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=O

2.2 Other Identifiers

2.2.1 UNII

XQJHQ6T1YB

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Dibenzosuberenone

2. 2222-33-5

3. 5-dibenzosuberenone

4. 5h-dibenzo[a,d][7]annulen-5-one

5. 5h-dibenzo(a,d)cyclohepten-5-one

6. Dibenzo[a,d]cyclohepten-5-one

7. 2,3:6,7-dibenzotropone

8. 2,3:6,7-dibenzosuberen-4-on-1

9. Dibenzo(a,d)cyclohepten-5-one

10. Nsc 86151

11. 5h-dibenzo(a,d)cycloheptenone

12. Dibenzo(b,f)cyclohepten-1-one

13. Dibenzo[b,f]cyclohepten-1-one

14. Xqjhq6t1yb

15. Mfcd00003588

16. 5h-dibenzo[a,d]cycloheptenone

17. Mls001359822

18. Nsc-86151

19. Smr001224379

20. Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one

21. 5h-dibenzo[a,d]cyclohepten-5-one (dibenzosuberenone)

22. Dibenzo[2,1-b:1',2'-e][7]annulen-11-one

23. Einecs 218-737-3

24. Brn 0743171

25. Dibenzosuberenone-5

26. 2,7-dibenzotropone

27. Unii-xqjhq6t1yb

28. Ec 218-737-3

29. 5-dibenzosuberenone, 97%

30. 4-07-00-01737 (beilstein Handbook Reference)

31. Cid_16679

32. 2,7-dibenzosuberen-4-on-1

33. Schembl268735

34. Wln: L C676 Bvj

35. Chembl1535826

36. Dibenzo[a,b] Cyclohepten-5-one

37. Dibenzo[a,d]cyclo-hepten-5-one

38. Dtxsid4062274

39. Bdbm93906

40. Dibenzo[a,d]-cycloheptene-5-one

41. 5h-dibenzo[a,d]cycloheptene-5-on

42. Hms3058n10

43. 5h-dibenzo[a,d]cycloheptene-5-one

44. Nsc86151

45. Zinc1760831

46. 5h-dibenzo[a,d]-cyclohepten-5-one

47. 5h-dibenzo[a,d]cyclo-hepten-5-one

48. Akos004907136

49. Ac-8771

50. Dibenzo[[?],[?]][7]annulen-11-one

51. Ncgc00247282-01

52. As-13493

53. Sy039325

54. Dibenzocycloheptenone [usp Impurity]

55. Am20030373

56. Cs-0001455

57. D1791

58. Ft-0602562

59. 11-dibenzo[1,2-a:1'',2''-e][7]annulenone

60. Dibenzo[1,2-a:1'',2''-e]cyclohepten-11-one

61. A852221

62. Dibenzo[1,2-a:1'',2''-e][7]annulen-11-one

63. Dibenzo[1,2-a:1\',2\'-e][7]annulen-11-one

64. Sr-01000316066

65. Sr-01000316066-1

66. W-107494

67. 5h-dibenzo[a,d]cyclohepten-5-one;5h-dibenzo[a,d][7]annulen-5-one

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₀O
Molecular Weight	206.24 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	206.073164938 g/mol
Monoisotopic Mass	206.073164938 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	277
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1