10,11-dihydro-5H-dibenzo(a,d)cycloheptene

HCID 70029

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Basic information

CAS: 833-48-7
Standard SMILES: c1ccc2c(c1)CCc1ccccc1C2
InChIKey: PJQCANLCUDUPRF-UHFFFAOYSA-N
Molecular formula: C15H14
Average molar mass: 194.27 g/mol
Monoisotopic mass: 194.10955045

Overview

structure in first source

Names & identifiers

Preferred name: 10,11-dihydro-5H-dibenzo(a,d)cycloheptene
IUPAC: tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
English name: 10,11-DIHYDRO-5 H-DIBENZO[A,D]CYCLOHEPTENE
Molecular formula: C15H14
Molecular weight: 194.27

Names & synonyms

833-48-710,11-Dihydro-5H-dibenzo[a,d]cyclohepteneDibenzocycloheptadieneGU7KLN5ED510,11-Dihydro-5H-dibenzo(a,d)cyclohepteneNSC-86156RefChem:586404212-630-5Dibenzosuberane10,11-dihydro-5h-dibenzo[a,d][7]annulenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene5H-Dibenzo[a,d]cycloheptene, 10,11-dihydro-

Show more names

Dibenzosuberane 98%10,11-Dihydro-5H-dibenzo[a,d]cycloh

1,2:4,5-Dibenzocycloheptane10,11-Dihydrodibenzo[a,d]cyclohepteneMFCD00003591TRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7,12,14-HEXAENENSC 861562,3:6,7-Dibenzosuberan10,11-Dihydro-5H-dibenzo[a,d]cycloheptene (Dibenzosuberane)Dibenzo[a,d][1,4]cycloheptadiene

Database identifiers

CAS: 833-48-7
PubChem CID: 70029
DTXSID: DTXSID10232254
ChEMBL: CHEMBL564180
UNII: GU7KLN5ED5
EC Number: 212-630-5
Nikkaji: J195.102E

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 186

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aromatic Hydrocarbons

Physical DescriptionOff-white crystals; [Acros Organics MSDS]

Physicochemical properties

Melting point: 74 · 74-76 °C(lit.)
Boiling point: 160 · 160-165 °C2 mm Hg(lit.)
Density: 1.0412 · 1.0412 (estimate)
refractive index: 1.5 · 1.5000 (estimate)
solubility: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
form: Solid
color: White
InChI: 1S/C15H14/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-8H,9-11H2
InChIKey: PJQCANLCUDUPRF-UHFFFAOYSA-N
SMILES: C1Cc2ccccc2Cc3ccccc13
FDA UNII: 7 KLN5ED5 · GU7KLN5ED5
UNSPSC Code: 12352100 · 12352100
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Hazard information

Hazards SummaryMay cause irritation; [Acros Organics MSDS]

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
safety_code: 24/25
Storage Class: 11 - Combustible Solids

Chemistry & industry

Applications

Uses10,11-DIHYDRO-5 H-DIBENZO[A,D]CYCLOHEPTENE is used as the base structure of various tricyclic antidepressants. Studies suggest that Dibenzosuberane and its analogues may have anti-viral properties.