9H-anthracen-9-ide;bromozinc(1+)

C14H9BrZn — CID 171991378

IUPAC9H-anthracen-9-ide;bromozinc(1+)
SMILES[Zn+]Br.[c-]1c2ccccc2cc2ccccc12
InChIInChI=1S/C14H9.BrH.Zn/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;;/h1-9H;1H;/q-1;;+2/p-1
InChIKeyDKCRVAGHSUFXIN-UHFFFAOYSA-M
MW322.52 g/mol
LogP4.64
Rot. Bonds

About 9H-anthracen-9-ide;bromozinc(1+)

9H-anthracen-9-ide;bromozinc(1+) (PubChem CID 171991378) has the molecular formula C14H9BrZn and a molecular weight of 322.52 g/mol. Its IUPAC name is 9H-anthracen-9-ide;bromozinc(1+).

Molecular Properties

Compound Name9H-anthracen-9-ide;bromozinc(1+)
PubChem CID171991378
Molecular FormulaC14H9BrZn
Molecular Weight322.52 g/mol
Exact Mass319.92
IUPAC Name9H-anthracen-9-ide;bromozinc(1+)
SMILES[Zn+]Br.[c-]1c2ccccc2cc2ccccc12
InChIInChI=1S/C14H9.BrH.Zn/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;;/h1-9H;1H;/q-1;;+2/p-1
InChIKeyDKCRVAGHSUFXIN-UHFFFAOYSA-M
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

sodium 9H-anthracen-9-ide
CID 86121808
9H-anthracen-9-ide;carbanide;yttrium
CID 170732925
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CID 162499550
lithium 2,3-dimethyl-1H-naphthalen-1-ide
CID 175420252
anthracene;silane
CID 131739126
anthracene;vanadium
CID 173418141
lithium anthracene
CID 22662646
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
CID 158474185
CID 158474185
cobalt;1H-naphthalen-1-id-2-amine
CID 88845481
gold(1+);1H-naphthalen-1-ide-2-thiol
CID 87433558
3-cyclopropyl-1H-naphthalen-1-ide-2-thiol;rhenium
CID 178168337

Frequently Asked Questions

What is the IUPAC name of 9H-anthracen-9-ide;bromozinc(1+)?
The IUPAC name of 9H-anthracen-9-ide;bromozinc(1+) (CID 171991378) is 9H-anthracen-9-ide;bromozinc(1+).
What is the SMILES notation for 9H-anthracen-9-ide;bromozinc(1+)?
The canonical SMILES for 9H-anthracen-9-ide;bromozinc(1+) is [Zn+]Br.[c-]1c2ccccc2cc2ccccc12.
What is the InChIKey of 9H-anthracen-9-ide;bromozinc(1+)?
The InChIKey is DKCRVAGHSUFXIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9.BrH.Zn/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;;/h1-9H;1H;/q-1;;+2/p-1.
What are the key properties of 9H-anthracen-9-ide;bromozinc(1+)?
9H-anthracen-9-ide;bromozinc(1+) has a molecular weight of 322.52 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-anthracen-9-ide;bromozinc(1+) is sourced from PubChem (CID 171991378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).