bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+)

C70H89N6Y — CID 139107344

IUPACbis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+)
SMILESCC(C)c1cccc(C(C)C)c1[NH-].CC(C)c1cccc(C(C)C)c1[NH-].Cc1cc(C)c([N-]c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c(C)c1.Cc1ccccc1.[Y+3].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C29H37N2.2C12H18N.C10H8N2.C7H8.Y/c1-17(2)23-15-24(18(3)4)28(25(16-23)19(5)6)26-11-10-12-27(30-26)31-29-21(8)13-20(7)14-22(29)9;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7-5-3-2-4-6-7;/h10-19H,1-9H3;2*5-9,13H,1-4H3;1-8H;2-6H,1H3;/q3*-1;;;+3
InChIKeyOEKUIZFVWMZEJV-UHFFFAOYSA-N
MW1103.43 g/mol
LogP22.75
Rot. Bonds11

About bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+)

bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+) (PubChem CID 139107344) has the molecular formula C70H89N6Y and a molecular weight of 1103.43 g/mol. Its IUPAC name is bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+).

Molecular Properties

Compound Namebis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+)
PubChem CID139107344
Molecular FormulaC70H89N6Y
Molecular Weight1103.43 g/mol
Exact Mass1102.62
IUPAC Namebis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+)
SMILESCC(C)c1cccc(C(C)C)c1[NH-].CC(C)c1cccc(C(C)C)c1[NH-].Cc1cc(C)c([N-]c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c(C)c1.Cc1ccccc1.[Y+3].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C29H37N2.2C12H18N.C10H8N2.C7H8.Y/c1-17(2)23-15-24(18(3)4)28(25(16-23)19(5)6)26-11-10-12-27(30-26)31-29-21(8)13-20(7)14-22(29)9;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7-5-3-2-4-6-7;/h10-19H,1-9H3;2*5-9,13H,1-4H3;1-8H;2-6H,1H3;/q3*-1;;;+3
InChIKeyOEKUIZFVWMZEJV-UHFFFAOYSA-N
XLogP22.75
TPSA100.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001103.43
LogP ≤ 522.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+) with MolForge

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Related Compounds

tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;titanium(4+)
CID 139108580
N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide
CID 90421461
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate
CID 132850801
(2,6-dimethylphenyl)-[6-(2,6-dimethylphenyl)-2-pyridinyl]azanide
CID 102591190
bis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate
CID 139044730
[2,6-di(propan-2-yl)phenyl]-[phenyl-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]azanium
CID 142140371
bis([2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide);nickel(2+);toluene
CID 139127962
[2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide;bis(molybdenum(2+));tris(2,2,2-trifluoroacetate)
CID 139044726
4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine
CID 135149052
copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine
CID 139206344
2-(2-propan-2-ylphenyl)pyridine
CID 55253137

Frequently Asked Questions

What is the IUPAC name of bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+)?
The IUPAC name of bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+) (CID 139107344) is bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+).
What is the SMILES notation for bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+)?
The canonical SMILES for bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+) is CC(C)c1cccc(C(C)C)c1[NH-].CC(C)c1cccc(C(C)C)c1[NH-].Cc1cc(C)c([N-]c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)c(C)c1.Cc1ccccc1.[Y+3].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+)?
The InChIKey is OEKUIZFVWMZEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N2.2C12H18N.C10H8N2.C7H8.Y/c1-17(2)23-15-24(18(3)4)28(25(16-23)19(5)6)26-11-10-12-27(30-26)31-29-21(8)13-20(7)14-22(29)9;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7-5-3-2-4-6-7;/h10-19H,1-9H3;2*5-9,13H,1-4H3;1-8H;2-6H,1H3;/q3*-1;;;+3.
What are the key properties of bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+)?
bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+) has a molecular weight of 1103.43 g/mol, XLogP of 22.75, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+) is sourced from PubChem (CID 139107344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).