magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide

C17H13IMgN2 — CID 58162949

IUPACmagnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide
SMILESCc1cc(C)c2c(c1)c1ccc[c-]c1c1nccn12.[I-].[Mg+2]
InChIInChI=1S/C17H13N2.HI.Mg/c1-11-9-12(2)16-15(10-11)13-5-3-4-6-14(13)17-18-7-8-19(16)17;;/h3-5,7-10H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyKGQGZWPUXROFSU-UHFFFAOYSA-M
MW396.51 g/mol
LogP0.68
Rot. Bonds

About magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide

magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide (PubChem CID 58162949) has the molecular formula C17H13IMgN2 and a molecular weight of 396.51 g/mol. Its IUPAC name is magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide.

Molecular Properties

Compound Namemagnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide
PubChem CID58162949
Molecular FormulaC17H13IMgN2
Molecular Weight396.51 g/mol
Exact Mass396.00
IUPAC Namemagnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide
SMILESCc1cc(C)c2c(c1)c1ccc[c-]c1c1nccn12.[I-].[Mg+2]
InChIInChI=1S/C17H13N2.HI.Mg/c1-11-9-12(2)16-15(10-11)13-5-3-4-6-14(13)17-18-7-8-19(16)17;;/h3-5,7-10H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyKGQGZWPUXROFSU-UHFFFAOYSA-M
XLogP0.68
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58163088
5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+)
CID 58163198
(Z)-4-hydroxypent-3-en-2-one;iridium;5-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 59358822
iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium
CID 59858700
5-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 58518069
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
carbanide;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-6-amine;platinum(2+);yttrium
CID 58162663
CID 157359145
CID 157359145
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162854
7-tert-butyl-5-(4-tert-butylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;7-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium(3+));7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158123757
CID 58944019
CID 58944019

Frequently Asked Questions

What is the IUPAC name of magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide?
The IUPAC name of magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide (CID 58162949) is magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide.
What is the SMILES notation for magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide?
The canonical SMILES for magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide is Cc1cc(C)c2c(c1)c1ccc[c-]c1c1nccn12.[I-].[Mg+2].
What is the InChIKey of magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide?
The InChIKey is KGQGZWPUXROFSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13N2.HI.Mg/c1-11-9-12(2)16-15(10-11)13-5-3-4-6-14(13)17-18-7-8-19(16)17;;/h3-5,7-10H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide?
magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide has a molecular weight of 396.51 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide is sourced from PubChem (CID 58162949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).