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ChEBI
> Main
CHEBI:33172 - octaphenylene
Main
ChEBI Ontology
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ChEBI Name
octaphenylene
ChEBI ID
CHEBI:33172
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C48H32
Net Charge
0
Average Mass
608.76768
Monoisotopic Mass
608.25040
InChI
InChI=1S/C48H32/c1-
2-
18-
34-
33(17-
1)
35-
19-
3-
4-
21-
37(35)
39-
23-
7-
8-
25-
41(39)
43-
27-
11-
12-
29-
45(43)
47-
31-
15-
16-
32-
48(47)
46-
30-
14-
13-
28-
44(46)
42-
26-
10-
9-
24-
40(42)
38-
22-
6-
5-
20-
36(34)
38/h1-
32H/b35-
33-
,36-
34-
,39-
37-
,40-
38-
,43-
41-
,44-
42-
,47-
45-
,48-
46-
InChIKey
NOAKQZUXUXSOTC-QYONKELQSA-N
SMILES
c1ccc-2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc-21
Roles Classification
Biological Role
(s):
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
(via
polycyclic arene
)
Application
(s):
endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via
polycyclic arene
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
octaphenylene (
CHEBI:33172
)
is a
ortho
-fused polycyclic arene (
CHEBI:35296
)
IUPAC Name
octaphenylene
Registry Number
Type
Source
2550013
Beilstein Registry Number
Beilstein
Last Modified
19 November 2006