bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+)

C60H94LaN3O2Si2 — CID 139135535

About bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+)

bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+) (PubChem CID 139135535) has the molecular formula C60H94LaN3O2Si2 and a molecular weight of 1084.51 g/mol. Its IUPAC name is bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+).

Molecular Properties

• Compound Name: bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+)
• PubChem CID: 139135535
• Molecular Formula: C60H94LaN3O2Si2
• Molecular Weight: 1084.51 g/mol
• Exact Mass: 1083.59
• IUPAC Name: bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+)
• SMILES: CC(C)c1cccc(C(C)C)c1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].C[Si](C)(C)[N-][Si](C)(C)C.[La+3]
• InChI: InChI=1S/2C27H39NO.C6H18NSi2.La/c2*1-17(2)21-12-11-13-22(18(3)4)24(21)28-16-19-14-20(26(5,6)7)15-23(25(19)29)27(8,9)10;1-8(2,3)7-9(4,5)6;/h2*11-18,29H,1-10H3;1-6H3;/q;;-1;+3/p-2/b2*28-16+
• InChIKey: NYKANTUPYHJOEW-GQPQPDJXSA-L
• XLogP: 17.74
• TPSA: 84.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1084.51
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+)?

The IUPAC name of bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+) (CID 139135535) is bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+).

What is the SMILES notation for bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+)?

The canonical SMILES for bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+) is CC(C)c1cccc(C(C)C)c1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-].C[Si](C)(C)[N-][Si](C)(C)C.[La+3].

What is the InChIKey of bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+)?

The InChIKey is NYKANTUPYHJOEW-GQPQPDJXSA-L. The full InChI is InChI=1S/2C27H39NO.C6H18NSi2.La/c2*1-17(2)21-12-11-13-22(18(3)4)24(21)28-16-19-14-20(26(5,6)7)15-23(25(19)29)27(8,9)10;1-8(2,3)7-9(4,5)6;/h2*11-18,29H,1-10H3;1-6H3;/q;;-1;+3/p-2/b2*28-16+;;.

What are the key properties of bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+)?

bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+) has a molecular weight of 1084.51 g/mol, XLogP of 17.74, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+) is sourced from PubChem (CID 139135535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).