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5385-75-1 molecular structure
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hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene

ChemBase ID: 156124
Molecular Formular: C24H14
Molecular Mass: 302.36796
Monoisotopic Mass: 302.10955045
SMILES and InChIs

SMILES:
c1ccc2c(c1)cc1c3ccccc3cc3c1c2c1c3cccc1
Canonical SMILES:
c1ccc2c(c1)c1c3ccccc3cc3c1c2cc1c3cccc1
InChI:
InChI=1S/C24H14/c1-3-9-17-15(7-1)13-22-19-11-5-6-12-20(19)23-18-10-4-2-8-16(18)14-21(17)24(22)23/h1-14H
InChIKey:
JHOWUOKQHJHGMU-UHFFFAOYSA-N

Cite this record

CBID:156124 http://www.chembase.cn/molecule-156124.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
IUPAC Traditional name
dibenzo(a,e)fluoranthene
Synonyms
Dibenzo[a,e]fluoranthene
二苯并[a,e]荧蒽
CAS Number
5385-75-1
MDL Number
MFCD00215892
Beilstein Number
2120920
PubChem SID
24892201
162250262
PubChem CID
21480

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
BCR265 external link Add to cart Please log in.
Data Source Data ID
PubChem 21480 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.262881  LogD (pH = 7.4) 6.262881 
Log P 6.262881  Molar Refractivity 99.623 cm3
Polarizability 45.45384 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Storage Temperature
2-8°C expand Show data source
Grade
BCR® certified Reference Material expand Show data source
Empirical Formula (Hill Notation)
C24H14 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - BCR265 external link
Legal Information
BCR is a registered trademark of European Commission

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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