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

C58H68F6Mo2N4O5 — CID 139044727

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

bis([6-(2,6-dimethylphenyl)-2-pyridinyl]-[2,6-di(propan-2-yl)phenyl]azanide);ethoxyethane;bis(molybdenum(2+));bis(2,2,2-trifluoroacetate) (PubChem CID 139044727) has the molecular formula C58H68F6Mo2N4O5 and a molecular weight of 1207.07 g/mol. Its IUPAC name is bis([6-(2,6-dimethylphenyl)-2-pyridinyl]-[2,6-di(propan-2-yl)phenyl]azanide);ethoxyethane;bis(molybdenum(2+));bis(2,2,2-trifluoroacetate).

Molecular Properties

• Compound Name: bis([6-(2,6-dimethylphenyl)-2-pyridinyl]-[2,6-di(propan-2-yl)phenyl]azanide);ethoxyethane;bis(molybdenum(2+));bis(2,2,2-trifluoroacetate)
• PubChem CID: 139044727
• Molecular Formula: C58H68F6Mo2N4O5
• Molecular Weight: 1207.07 g/mol
• Exact Mass: 1210.32
• IUPAC Name: bis([6-(2,6-dimethylphenyl)-2-pyridinyl]-[2,6-di(propan-2-yl)phenyl]azanide);ethoxyethane;bis(molybdenum(2+));bis(2,2,2-trifluoroacetate)
• SMILES: CCOCC.Cc1cccc(C)c1-c1cccc([N-]c2c(C(C)C)cccc2C(C)C)n1.Cc1cccc(C)c1-c1cccc([N-]c2c(C(C)C)cccc2C(C)C)n1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Mo+2].[Mo+2]
• InChI: InChI=1S/2C25H29N2.C4H10O.2C2HF3O2.2Mo/c2*1-16(2)20-12-8-13-21(17(3)4)25(20)27-23-15-9-14-22(26-23)24-18(5)10-7-11-19(24)6;1-3-5-4-2;2*3-2(4,5)1(6)7;;/h2*7-17H,1-6H3;3-4H2,1-2H3;2*(H,6,7);;/q2*-1;;;;2*+2/p-2
• InChIKey: KXLZKWQIVRLGGL-UHFFFAOYSA-L
• XLogP: 15.53
• TPSA: 143.47 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1207.07
LogP ≤ 5	15.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of bis([6-(2,6-dimethylphenyl)-2-pyridinyl]-[2,6-di(propan-2-yl)phenyl]azanide);ethoxyethane;bis(molybdenum(2+));bis(2,2,2-trifluoroacetate)?

The IUPAC name of 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) is bis([6-(2,6-dimethylphenyl)-2-pyridinyl]-[2,6-di(propan-2-yl)phenyl]azanide);ethoxyethane;bis(molybdenum(2+));bis(2,2,2-trifluoroacetate).

What is the SMILES notation for bis([6-(2,6-dimethylphenyl)-2-pyridinyl]-[2,6-di(propan-2-yl)phenyl]azanide);ethoxyethane;bis(molybdenum(2+));bis(2,2,2-trifluoroacetate)?

The canonical SMILES for bis([6-(2,6-dimethylphenyl)-2-pyridinyl]-[2,6-di(propan-2-yl)phenyl]azanide);ethoxyethane;bis(molybdenum(2+));bis(2,2,2-trifluoroacetate) is CCOCC.Cc1cccc(C)c1-c1cccc([N-]c2c(C(C)C)cccc2C(C)C)n1.Cc1cccc(C)c1-c1cccc([N-]c2c(C(C)C)cccc2C(C)C)n1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Mo+2].[Mo+2].

What is the InChIKey of bis([6-(2,6-dimethylphenyl)-2-pyridinyl]-[2,6-di(propan-2-yl)phenyl]azanide);ethoxyethane;bis(molybdenum(2+));bis(2,2,2-trifluoroacetate)?

The InChIKey is KXLZKWQIVRLGGL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C25H29N2.C4H10O.2C2HF3O2.2Mo/c2*1-16(2)20-12-8-13-21(17(3)4)25(20)27-23-15-9-14-22(26-23)24-18(5)10-7-11-19(24)6;1-3-5-4-2;2*3-2(4,5)1(6)7;;/h2*7-17H,1-6H3;3-4H2,1-2H3;2*(H,6,7);;/q2*-1;;;;2*+2/p-2.

What are the key properties of bis([6-(2,6-dimethylphenyl)-2-pyridinyl]-[2,6-di(propan-2-yl)phenyl]azanide);ethoxyethane;bis(molybdenum(2+));bis(2,2,2-trifluoroacetate)?

bis([6-(2,6-dimethylphenyl)-2-pyridinyl]-[2,6-di(propan-2-yl)phenyl]azanide);ethoxyethane;bis(molybdenum(2+));bis(2,2,2-trifluoroacetate) has a molecular weight of 1207.07 g/mol, XLogP of 15.53, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis([6-(2,6-dimethylphenyl)-2-pyridinyl]-[2,6-di(propan-2-yl)phenyl]azanide);ethoxyethane;bis(molybdenum(2+));bis(2,2,2-trifluoroacetate) is sourced from PubChem (CID 139044727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).