tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+)

C62H76N7U — CID 139165486

About tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+)

tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+) (PubChem CID 139165486) has the molecular formula C62H76N7U and a molecular weight of 1157.37 g/mol. Its IUPAC name is tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+).

Molecular Properties

• Compound Name: tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+)
• PubChem CID: 139165486
• Molecular Formula: C62H76N7U
• Molecular Weight: 1157.37 g/mol
• Exact Mass: 1156.67
• IUPAC Name: tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+)
• SMILES: Cc1cc(C)c(C(=[N-])C(C)(C)C)c(C)c1.Cc1cc(C)c(C(=[N-])C(C)(C)C)c(C)c1.Cc1cc(C)c(C(=[N-])C(C)(C)C)c(C)c1.[U+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/3C14H20N.2C10H8N2.U/c3*1-9-7-10(2)12(11(3)8-9)13(15)14(4,5)6;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*7-8H,1-6H3;2*1-8H;/q3*-1;;;+3
• InChIKey: CXXHWBCBPZXNET-UHFFFAOYSA-N
• XLogP: 16.34
• TPSA: 118.46 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1157.37
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+)?

The IUPAC name of tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+) (CID 139165486) is tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+).

What is the SMILES notation for tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+)?

The canonical SMILES for tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+) is Cc1cc(C)c(C(=[N-])C(C)(C)C)c(C)c1.Cc1cc(C)c(C(=[N-])C(C)(C)C)c(C)c1.Cc1cc(C)c(C(=[N-])C(C)(C)C)c(C)c1.[U+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+)?

The InChIKey is CXXHWBCBPZXNET-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H20N.2C10H8N2.U/c3*1-9-7-10(2)12(11(3)8-9)13(15)14(4,5)6;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*7-8H,1-6H3;2*1-8H;/q3*-1;;;+3.

What are the key properties of tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+)?

tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+) has a molecular weight of 1157.37 g/mol, XLogP of 16.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tris([2,2-dimethyl-1-(2,4,6-trimethylphenyl)propylidene]azanide);bis(2-pyridin-2-ylpyridine);uranium(3+) is sourced from PubChem (CID 139165486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).