magnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride

C64H88Br2ClMgN4OP — CID 158365197

IUPACmagnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride
SMILESC1CCOC1.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.C[CH-]C.Cc1ccnc(-c2cccnc2C)c1.Cc1ccnc(Br)c1.Cc1ncccc1Br.[Cl-].[Mg+2]
InChIInChI=1S/C33H49P.C12H12N2.2C6H6BrN.C4H8O.C3H7.ClH.Mg/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;1-9-5-7-14-12(8-9)11-4-3-6-13-10(11)2;1-5-2-3-8-6(7)4-5;1-5-6(7)3-2-4-8-5;1-2-4-5-3-1;1-3-2;;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;3-8H,1-2H3;2*2-4H,1H3;1-4H2;3H,1-2H3;1H;/q;;;;;-1;;+2/p-1
InChIKeyUEXBVEPIKLNVIV-UHFFFAOYSA-M
MW1179.97 g/mol
LogP16.21
Rot. Bonds8

About magnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride

magnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride (PubChem CID 158365197) has the molecular formula C64H88Br2ClMgN4OP and a molecular weight of 1179.97 g/mol. Its IUPAC name is magnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride.

Molecular Properties

Compound Namemagnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride
PubChem CID158365197
Molecular FormulaC64H88Br2ClMgN4OP
Molecular Weight1179.97 g/mol
Exact Mass1176.46
IUPAC Namemagnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride
SMILESC1CCOC1.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.C[CH-]C.Cc1ccnc(-c2cccnc2C)c1.Cc1ccnc(Br)c1.Cc1ncccc1Br.[Cl-].[Mg+2]
InChIInChI=1S/C33H49P.C12H12N2.2C6H6BrN.C4H8O.C3H7.ClH.Mg/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;1-9-5-7-14-12(8-9)11-4-3-6-13-10(11)2;1-5-2-3-8-6(7)4-5;1-5-6(7)3-2-4-8-5;1-2-4-5-3-1;1-3-2;;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;3-8H,1-2H3;2*2-4H,1H3;1-4H2;3H,1-2H3;1H;/q;;;;;-1;;+2/p-1
InChIKeyUEXBVEPIKLNVIV-UHFFFAOYSA-M
XLogP16.21
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.97
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze magnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride?
The IUPAC name of magnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride (CID 158365197) is magnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride.
What is the SMILES notation for magnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride?
The canonical SMILES for magnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride is C1CCOC1.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.C[CH-]C.Cc1ccnc(-c2cccnc2C)c1.Cc1ccnc(Br)c1.Cc1ncccc1Br.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride?
The InChIKey is UEXBVEPIKLNVIV-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H49P.C12H12N2.2C6H6BrN.C4H8O.C3H7.ClH.Mg/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;1-9-5-7-14-12(8-9)11-4-3-6-13-10(11)2;1-5-2-3-8-6(7)4-5;1-5-6(7)3-2-4-8-5;1-2-4-5-3-1;1-3-2;;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;3-8H,1-2H3;2*2-4H,1H3;1-4H2;3H,1-2H3;1H;/q;;;;;-1;;+2/p-1.
What are the key properties of magnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride?
magnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride has a molecular weight of 1179.97 g/mol, XLogP of 16.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-bromo-4-methylpyridine;3-bromo-2-methylpyridine;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-methyl-3-(4-methyl-2-pyridinyl)pyridine;oxolane;propane;chloride is sourced from PubChem (CID 158365197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).