1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydroacenaphthylen-5-yl]isoquinoline

HCID 102495449
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Basic information

Standard SMILES
CC1(C)OB(c2cc3c4c(cccc4c2-c2nccc4ccccc24)CC3)OC1(C)C
InChIKey
DAFGOMSOCOTYCA-UHFFFAOYSA-N
Molecular formula
C27H26BNO2
Average molar mass
407.3 g/mol
Monoisotopic mass
407.2056592

Names & identifiers

Preferred name
1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydroacenaphthylen-5-yl]isoquinoline
IUPAC
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydroacenaphthylen-5-yl]isoquinoline

Database identifiers

PubChem CID
102495449
Nikkaji
J3.209.361B

Properties

Computed structural properties

Topological polar surface area
31.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
31

Related reactions

1 records
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Compound notes

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