bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide

C16H11BrN2Zn — CID 58163088

IUPACbromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCc1ccc2c(c1)c1ccc[c-]c1c1nccn21.[Zn+]Br
InChIInChI=1S/C16H11N2.BrH.Zn/c1-11-6-7-15-14(10-11)12-4-2-3-5-13(12)16-17-8-9-18(15)16;;/h2-4,6-10H,1H3;1H;/q-1;;+2/p-1
InChIKeyFWGRGLLAYFWEAO-UHFFFAOYSA-M
MW376.57 g/mol
LogP4.59
Rot. Bonds

About bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide

bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 58163088) has the molecular formula C16H11BrN2Zn and a molecular weight of 376.57 g/mol. Its IUPAC name is bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

Compound Namebromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
PubChem CID58163088
Molecular FormulaC16H11BrN2Zn
Molecular Weight376.57 g/mol
Exact Mass373.94
IUPAC Namebromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCc1ccc2c(c1)c1ccc[c-]c1c1nccn21.[Zn+]Br
InChIInChI=1S/C16H11N2.BrH.Zn/c1-11-6-7-15-14(10-11)12-4-2-3-5-13(12)16-17-8-9-18(15)16;;/h2-4,6-10H,1H3;1H;/q-1;;+2/p-1
InChIKeyFWGRGLLAYFWEAO-UHFFFAOYSA-M
XLogP4.59
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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_3', 'substructure': 'N/A'}

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Related Compounds

magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide
CID 58162949
iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium
CID 59858700
7,10-dimethylimidazo[1,2-f]phenanthridine
CID 58943988
carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162854
carbanide;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-6-amine;platinum(2+);yttrium
CID 58162663
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
7,10-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-methyl-5-(4-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158846855
12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene
CID 59583141
5-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 58518069
5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+)
CID 58163198
CID 157359145
CID 157359145
7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-diphenylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)
CID 160958358

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide?
The IUPAC name of bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 58163088) is bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide.
What is the SMILES notation for bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide?
The canonical SMILES for bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide is Cc1ccc2c(c1)c1ccc[c-]c1c1nccn21.[Zn+]Br.
What is the InChIKey of bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide?
The InChIKey is FWGRGLLAYFWEAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H11N2.BrH.Zn/c1-11-6-7-15-14(10-11)12-4-2-3-5-13(12)16-17-8-9-18(15)16;;/h2-4,6-10H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide?
bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 376.57 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 58163088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).