magnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide

C70H93BrClIMgN4Sn2 — CID 162091561

IUPACmagnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.CCCC[Sn](Cl)(CCCC)CCCC.Ic1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.[Br-].[CH2-]C.[Mg+2]
InChIInChI=1S/C22H17IN2.C22H17N2.6C4H9.C2H5.BrH.ClH.Mg.2Sn/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21;6*1-3-4-2;1-2;;;;;/h1-17H;1-15,17-18H;6*1,3-4H2,2H3;1H2,2H3;2*1H;;;/q;;;;;;;;-1;;;+2;;+1/p-2
InChIKeyZZYZNRUVFYUEDH-UHFFFAOYSA-L
MW1494.53 g/mol
LogP17.14
Rot. Bonds27

About magnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide

magnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide (PubChem CID 162091561) has the molecular formula C70H93BrClIMgN4Sn2 and a molecular weight of 1494.53 g/mol. Its IUPAC name is magnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide.

Molecular Properties

Compound Namemagnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide
PubChem CID162091561
Molecular FormulaC70H93BrClIMgN4Sn2
Molecular Weight1494.53 g/mol
Exact Mass1494.32
IUPAC Namemagnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.CCCC[Sn](Cl)(CCCC)CCCC.Ic1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.[Br-].[CH2-]C.[Mg+2]
InChIInChI=1S/C22H17IN2.C22H17N2.6C4H9.C2H5.BrH.ClH.Mg.2Sn/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21;6*1-3-4-2;1-2;;;;;/h1-17H;1-15,17-18H;6*1,3-4H2,2H3;1H2,2H3;2*1H;;;/q;;;;;;;;-1;;;+2;;+1/p-2
InChIKeyZZYZNRUVFYUEDH-UHFFFAOYSA-L
XLogP17.14
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001494.53
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide?
The IUPAC name of magnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide (CID 162091561) is magnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide.
What is the SMILES notation for magnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide?
The canonical SMILES for magnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide is CCCC[Sn](CCCC)(CCCC)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.CCCC[Sn](Cl)(CCCC)CCCC.Ic1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.[Br-].[CH2-]C.[Mg+2].
What is the InChIKey of magnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide?
The InChIKey is ZZYZNRUVFYUEDH-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H17IN2.C22H17N2.6C4H9.C2H5.BrH.ClH.Mg.2Sn/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21;6*1-3-4-2;1-2;;;;;/h1-17H;1-15,17-18H;6*1,3-4H2,2H3;1H2,2H3;2*1H;;;/q;;;;;;;;-1;;;+2;;+1/p-2.
What are the key properties of magnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide?
magnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide has a molecular weight of 1494.53 g/mol, XLogP of 17.14, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethane;4-iodo-1-tritylimidazole;tributyl(chloro)stannane;tributyl-(1-tritylimidazol-4-yl)stannane;bromide is sourced from PubChem (CID 162091561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).