bis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate

C62H80Mo2N4O4 — CID 139044730

IUPACbis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(C)c1cccc(C(C)C)c1[N-]c1cccc(-c2c(C(C)C)cccc2C(C)C)n1.CC(C)c1cccc(C(C)C)c1[N-]c1cccc(-c2c(C(C)C)cccc2C(C)C)n1.[Mo+2].[Mo+2]
InChIInChI=1S/2C29H37N2.2C2H4O2.2Mo/c2*1-18(2)22-12-9-13-23(19(3)4)28(22)26-16-11-17-27(30-26)31-29-24(20(5)6)14-10-15-25(29)21(7)8;2*1-2(3)4;;/h2*9-21H,1-8H3;2*1H3,(H,3,4);;/q2*-1;;;2*+2/p-2
InChIKeyAHFUSWLMXIOYJI-UHFFFAOYSA-L
MW1137.23 g/mol
LogP16.67
Rot. Bonds14

About bis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate

bis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate (PubChem CID 139044730) has the molecular formula C62H80Mo2N4O4 and a molecular weight of 1137.23 g/mol. Its IUPAC name is bis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate.

Molecular Properties

Compound Namebis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate
PubChem CID139044730
Molecular FormulaC62H80Mo2N4O4
Molecular Weight1137.23 g/mol
Exact Mass1140.43
IUPAC Namebis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(C)c1cccc(C(C)C)c1[N-]c1cccc(-c2c(C(C)C)cccc2C(C)C)n1.CC(C)c1cccc(C(C)C)c1[N-]c1cccc(-c2c(C(C)C)cccc2C(C)C)n1.[Mo+2].[Mo+2]
InChIInChI=1S/2C29H37N2.2C2H4O2.2Mo/c2*1-18(2)22-12-9-13-23(19(3)4)28(22)26-16-11-17-27(30-26)31-29-24(20(5)6)14-10-15-25(29)21(7)8;2*1-2(3)4;;/h2*9-21H,1-8H3;2*1H3,(H,3,4);;/q2*-1;;;2*+2/p-2
InChIKeyAHFUSWLMXIOYJI-UHFFFAOYSA-L
XLogP16.67
TPSA134.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001137.23
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[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
bis([6-(2,6-dimethylphenyl)-2-pyridinyl]-[2,6-di(propan-2-yl)phenyl]azanide);ethoxyethane;bis(molybdenum(2+));bis(2,2,2-trifluoroacetate)
CID 139044727
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
(2,6-dimethylphenyl)-[6-(2,6-dimethylphenyl)-2-pyridinyl]azanide
CID 102591190
1-(6-acetyl-2-pyridinyl)ethanone;bis(2,6-di(propan-2-yl)aniline)
CID 122573036
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
1-[6-[6-[6-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethanone
CID 86093047
N-(2,4,6-trimethylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2-carboxamide
CID 90421461
1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;hydrochloride
CID 87925983
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
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate
CID 139128645
azane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron
CID 16726514

Frequently Asked Questions

What is the IUPAC name of bis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate?
The IUPAC name of 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) is bis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate.
What is the SMILES notation for bis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate?
The canonical SMILES for bis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate is CC(=O)[O-].CC(=O)[O-].CC(C)c1cccc(C(C)C)c1[N-]c1cccc(-c2c(C(C)C)cccc2C(C)C)n1.CC(C)c1cccc(C(C)C)c1[N-]c1cccc(-c2c(C(C)C)cccc2C(C)C)n1.[Mo+2].[Mo+2].
What is the InChIKey of bis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate?
The InChIKey is AHFUSWLMXIOYJI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C29H37N2.2C2H4O2.2Mo/c2*1-18(2)22-12-9-13-23(19(3)4)28(22)26-16-11-17-27(30-26)31-29-24(20(5)6)14-10-15-25(29)21(7)8;2*1-2(3)4;;/h2*9-21H,1-8H3;2*1H3,(H,3,4);;/q2*-1;;;2*+2/p-2.
What are the key properties of bis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate?
bis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate has a molecular weight of 1137.23 g/mol, XLogP of 16.67, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2,6-di(propan-2-yl)phenyl]-[6-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]azanide);bis(molybdenum(2+));diacetate is sourced from PubChem (CID 139044730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).