[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)

C35H37F9Mo2N2O6 — CID 139044726

About [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)

[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) (PubChem CID 139044726) has the molecular formula C35H37F9Mo2N2O6 and a molecular weight of 944.55 g/mol. Its IUPAC name is [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).

Molecular Properties

• Compound Name: [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)
• PubChem CID: 139044726
• Molecular Formula: C35H37F9Mo2N2O6
• Molecular Weight: 944.55 g/mol
• Exact Mass: 948.06
• IUPAC Name: [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)
• SMILES: CC(C)c1cccc(C(C)C)c1[N-]c1cccc(-c2c(C(C)C)cccc2C(C)C)n1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Mo+2].[Mo+2]
• InChI: InChI=1S/C29H37N2.3C2HF3O2.2Mo/c1-18(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;3*3-2(4,5)1(6)7;;/h9-21H,1-8H3;3*(H,6,7);;/q-1;;;;2*+2/p-3
• InChIKey: ASAKVCBTDJHJOE-UHFFFAOYSA-K
• XLogP: 7.47
• TPSA: 147.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.55
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [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)?

The IUPAC name of [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) is [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).

What is the SMILES notation for [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)?

The canonical SMILES for [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) is CC(C)c1cccc(C(C)C)c1[N-]c1cccc(-c2c(C(C)C)cccc2C(C)C)n1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Mo+2].[Mo+2].

What is the InChIKey of [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)?

The InChIKey is ASAKVCBTDJHJOE-UHFFFAOYSA-K. The full InChI is InChI=1S/C29H37N2.3C2HF3O2.2Mo/c1-18(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;3*3-2(4,5)1(6)7;;/h9-21H,1-8H3;3*(H,6,7);;/q-1;;;;2*+2/p-3.

What are the key properties of [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)?

[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) has a molecular weight of 944.55 g/mol, XLogP of 7.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [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) is sourced from PubChem (CID 139044726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).