magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride

C31H33ClMgN2 — CID 58163278

IUPACmagnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride
SMILESCc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)C)c(CC(C)C)cc3n12.[Cl-].[Mg+2]
InChIInChI=1S/C31H33N2.ClH.Mg/c1-19(2)14-23-16-27-25-12-7-8-13-26(25)31-32-18-29(30-21(5)10-9-11-22(30)6)33(31)28(27)17-24(23)15-20(3)4;;/h7-12,16-20H,14-15H2,1-6H3;1H;/q-1;;+2/p-1
InChIKeyOHFNDXVFQLVBSP-UHFFFAOYSA-M
MW493.38 g/mol
LogP4.74
Rot. Bonds5

About magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride

magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride (PubChem CID 58163278) has the molecular formula C31H33ClMgN2 and a molecular weight of 493.38 g/mol. Its IUPAC name is magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride.

Molecular Properties

Compound Namemagnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride
PubChem CID58163278
Molecular FormulaC31H33ClMgN2
Molecular Weight493.38 g/mol
Exact Mass492.22
IUPAC Namemagnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride
SMILESCc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)C)c(CC(C)C)cc3n12.[Cl-].[Mg+2]
InChIInChI=1S/C31H33N2.ClH.Mg/c1-19(2)14-23-16-27-25-12-7-8-13-26(25)31-32-18-29(30-21(5)10-9-11-22(30)6)33(31)28(27)17-24(23)15-20(3)4;;/h7-12,16-20H,14-15H2,1-6H3;1H;/q-1;;+2/p-1
InChIKeyOHFNDXVFQLVBSP-UHFFFAOYSA-M
XLogP4.74
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2,6-bis(2-methylpropyl)phenyl]imidazo[1,2-f]phenanthridine;3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 160802426
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58162877
6,7-bis(2,2-dimethylpropyl)-3-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6,7-dimethyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);tetrakis(yttrium)
CID 157352487
3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58943938
carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium
CID 58162748
3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide);tris(dimethyl-phenyl-pyridin-2-ylsilane);3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);2-(phenoxy)pyridine
CID 157300432
CID 58262191
CID 58262191
3-(2,6-dimethylphenyl)-2,5,16,19-tetrazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 140948797
3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 160881462
7-(2,2-dimethylpropyl)-3-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58162565
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

Frequently Asked Questions

What is the IUPAC name of magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride?
The IUPAC name of magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride (CID 58163278) is magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride.
What is the SMILES notation for magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride?
The canonical SMILES for magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride is Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)C)c(CC(C)C)cc3n12.[Cl-].[Mg+2].
What is the InChIKey of magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride?
The InChIKey is OHFNDXVFQLVBSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H33N2.ClH.Mg/c1-19(2)14-23-16-27-25-12-7-8-13-26(25)31-32-18-29(30-21(5)10-9-11-22(30)6)33(31)28(27)17-24(23)15-20(3)4;;/h7-12,16-20H,14-15H2,1-6H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride?
magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride has a molecular weight of 493.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride is sourced from PubChem (CID 58163278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).