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8,9-Dihydrocyclopenta[def]phenanthrene

HCID 605749
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
c1cc2c3c(c1)Cc1cccc(c1-3)CC2
InChIKey
QBMIPMOSKSYZNU-UHFFFAOYSA-N
Molecular formula
C15H12
Average molar mass
192.25 g/mol

Names & identifiers

Preferred name
8,9-Dihydrocyclopenta[def]phenanthrene
IUPAC
tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene

Names & synonyms

8,9-Dihydrocyclopenta[def]phenanthrene8,9-Dihydro-4H-cyclopenta[def]phenanthreneSCHEMBL9828548,9-Dihydro-4H-cyclopenta[def]phenanthrene #

Database identifiers

PubChem CID
605749
Nikkaji
J581.527D

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
15
Formal charge
0
Complexity
231

Related reactions

26 records
New reaction record
HRID 254127 reaction equation
HRID 254127As productuspto-grants-2011_01
HRID 254128 reaction equation
HRID 254128As reactantuspto-grants-2011_01
HRID 254129 reaction equation
HRID 254129As productuspto-grants-2011_01
HRID 306707 reaction equation
HRID 306707As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 505843 reaction equation
HRID 505843As productuspto-grants-2010_08
HRID 505844 reaction equation
HRID 505844As productuspto-grants-2010_08
HRID 505846 reaction equation
HRID 505846As productuspto-grants-2010_08
HRID 505848 reaction equation
HRID 505848As productuspto-grants-2010_08
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Compound notes

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