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833-48-7 molecular structure
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tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

ChemBase ID: 126957
Molecular Formular: C15H14
Molecular Mass: 194.27166
Monoisotopic Mass: 194.10955045
SMILES and InChIs

SMILES:
c1cc2c(cc1)Cc1c(cccc1)CC2
Canonical SMILES:
c1ccc2c(c1)CCc1c(C2)cccc1
InChI:
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

Cite this record

CBID:126957 http://www.chembase.cn/molecule-126957.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
IUPAC Traditional name
dibenzocycloheptene
Synonyms
10,11-dihydro-5H-dibenzo[a,d]cycloheptene
Dibenzocycloheptene
Dibenzosuberane
10,11-Dihydro-5H-dibenzo[a,d]cycloheptene
1,2:4,5-Dibenzocycloheptane
10,11-Dihydrodibenzo[a,d]cycloheptene
2,3:6,7-Dibenzosuberan
Dibenzo[a,d][1,4]cycloheptadiene
NSC 86156
Suberane
Dibenzosuberane
10,11-二氢-5H-二苯并[a,d]环庚烯
CAS Number
833-48-7
EC Number
212-630-5
MDL Number
MFCD00003591
PubChem SID
162221283
24893334
PubChem CID
70029
Chemspider ID
63219
Wikipedia Title
Dibenzocycloheptene

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.6281567  LogD (pH = 7.4) 4.6281567 
Log P 4.6281567  Molar Refractivity 64.0754 cm3
Polarizability 24.584885 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
74-76 °C(lit.) expand Show data source
Boiling Point
160-165 °C/2 mmHg(lit.) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C15H14 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - D104957 external link
Packaging
5 g in glass bottle
Toronto Research Chemicals - D416935 external link
Dibenzosuberane is used as the base structure of various tricyclic antidepressants. Studies suggest that Dibenzosuberane and its analogues may have anti-viral properties.

REFERENCES

REFERENCES

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  • • Murray, M.A. et al.: Antiviral Res., 44, 123 (1999)
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PATENTS

PATENTS

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INTERNET

INTERNET

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