octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten

C204H360Mo16N64W40-56 — CID 162275647

IUPACoctakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten
SMILESC1CCC2CCC[N-]C2[N-]C1.C1CCC2CCC[N-]C2[N-]C1.C1CCC2CCC[N-]C2[N-]C1.C1CCC2CCC[N-]C2[N-]C1.C1CCC2CC[N-]C2[N-]C1.C1CCC2CC[N-]C2[N-]C1.C1CCC2CC[N-]C2[N-]C1.C1CCC2CC[N-]C2[N-]C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCCC2C1.C1C[N-]C2[N-]CCCC2C1.C1C[N-]C2[N-]CCCC2C1.C1C[N-]C2[N-]CCCC2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/4C9H16N2.8C8H14N2.8C7H12N2.8C6H11N3.16Mo.40W/c4*1-2-6-10-9-8(4-1)5-3-7-11-9;4*1-3-7-4-2-6-10-8(7)9-5-1;4*1-2-5-9-8-7(3-1)4-6-10-8;8*1-2-6-3-5-9-7(6)8-4-1;8*1-2-7-6-8-3-5-9(6)4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*8-9H,1-7H2;8*7-8H,1-6H2;8*6-7H,1-5H2;8*6H,1-5H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q28*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyVYENWTQATAKLSH-UHFFFAOYSA-N
MW12598.21 g/mol
LogP49.47
Rot. Bonds

About octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten

octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten (PubChem CID 162275647) has the molecular formula C204H360Mo16N64W40-56 and a molecular weight of 12598.21 g/mol. Its IUPAC name is octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten.

Molecular Properties

Compound Nameoctakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten
PubChem CID162275647
Molecular FormulaC204H360Mo16N64W40-56
Molecular Weight12598.21 g/mol
Exact Mass12631.57
IUPAC Nameoctakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten
SMILESC1CCC2CCC[N-]C2[N-]C1.C1CCC2CCC[N-]C2[N-]C1.C1CCC2CCC[N-]C2[N-]C1.C1CCC2CCC[N-]C2[N-]C1.C1CCC2CC[N-]C2[N-]C1.C1CCC2CC[N-]C2[N-]C1.C1CCC2CC[N-]C2[N-]C1.C1CCC2CC[N-]C2[N-]C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCCC2C1.C1C[N-]C2[N-]CCCC2C1.C1C[N-]C2[N-]CCCC2C1.C1C[N-]C2[N-]CCCC2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/4C9H16N2.8C8H14N2.8C7H12N2.8C6H11N3.16Mo.40W/c4*1-2-6-10-9-8(4-1)5-3-7-11-9;4*1-3-7-4-2-6-10-8(7)9-5-1;4*1-2-5-9-8-7(3-1)4-6-10-8;8*1-2-6-3-5-9-7(6)8-4-1;8*1-2-7-6-8-3-5-9(6)4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*8-9H,1-7H2;8*7-8H,1-6H2;8*6-7H,1-5H2;8*6H,1-5H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q28*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyVYENWTQATAKLSH-UHFFFAOYSA-N
XLogP49.47
TPSA815.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms324
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 50012598.21
LogP ≤ 549.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten with MolForge

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Related Compounds

2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane
CID 165020262
2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidine);2,7-ditert-butyl-3,4,4a,5,6,8-hexahydro-1H-pyrimido[1,6-c]pyrimidine;2,6-ditert-butyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole;2,6-ditert-butyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine;2,8-ditert-butyl-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine;2,7-ditert-butyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine;bis(2,8-ditert-butyl-1,3,4,4a,5,6,7,9-octahydropyrimido[1,6-c][1,3]diazepine);2,6-ditert-butyl-3,5,7,7a-tetrahydro-1H-imidazo[1,5-c]imidazole;3,6-ditert-butyl-1,6-diazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,7-diazabicyclo[4.2.0]octane;3,6-ditert-butyl-1,3,6-triazabicyclo[3.2.0]heptane;3,7-ditert-butyl-1,3,7-triazabicyclo[4.2.0]octane
CID 165074788

Frequently Asked Questions

What is the IUPAC name of octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten?
The IUPAC name of octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten (CID 162275647) is octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten.
What is the SMILES notation for octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten?
The canonical SMILES for octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten is C1CCC2CCC[N-]C2[N-]C1.C1CCC2CCC[N-]C2[N-]C1.C1CCC2CCC[N-]C2[N-]C1.C1CCC2CCC[N-]C2[N-]C1.C1CCC2CC[N-]C2[N-]C1.C1CCC2CC[N-]C2[N-]C1.C1CCC2CC[N-]C2[N-]C1.C1CCC2CC[N-]C2[N-]C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCC2C1.C1C[N-]C2[N-]CCCC2C1.C1C[N-]C2[N-]CCCC2C1.C1C[N-]C2[N-]CCCC2C1.C1C[N-]C2[N-]CCCC2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.C1C[N-]C2[N-]CCN2C1.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].
What is the InChIKey of octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten?
The InChIKey is VYENWTQATAKLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H16N2.8C8H14N2.8C7H12N2.8C6H11N3.16Mo.40W/c4*1-2-6-10-9-8(4-1)5-3-7-11-9;4*1-3-7-4-2-6-10-8(7)9-5-1;4*1-2-5-9-8-7(3-1)4-6-10-8;8*1-2-6-3-5-9-7(6)8-4-1;8*1-2-7-6-8-3-5-9(6)4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*8-9H,1-7H2;8*7-8H,1-6H2;8*6-7H,1-5H2;8*6H,1-5H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q28*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten?
octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten has a molecular weight of 12598.21 g/mol, XLogP of 49.47, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine-1,7-diide);tetrakis(2,3,4,4a,5,6,7,8a-octahydro-1,8-naphthyridine-1,8-diide);octakis(2,3,5,6,7,8a-hexahydroimidazo[1,2-a]pyrimidine-1,8-diide);tetrakis(2,10-diazanidabicyclo[5.3.0]decane);tetrakis(2,11-diazanidabicyclo[5.4.0]undecane);molybdenum;tungsten is sourced from PubChem (CID 162275647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).