lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+)

C80H104LiN8NdO3 — CID 139176899

About lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+)

lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+) (PubChem CID 139176899) has the molecular formula C80H104LiN8NdO3 and a molecular weight of 1376.95 g/mol. Its IUPAC name is lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+).

Molecular Properties

• Compound Name: lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+)
• PubChem CID: 139176899
• Molecular Formula: C80H104LiN8NdO3
• Molecular Weight: 1376.95 g/mol
• Exact Mass: 1373.75
• IUPAC Name: lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+)
• SMILES: CCOCC.COCCOC.Cc1cccc(C)c1/N=C(/[N-]c1cccc2cccc(/N=C(/[N-]c3c(C)cccc3C)C(C)(C)C)c12)C(C)(C)C.Cc1cccc(C)c1[N-]/C(=N/c1cccc2cccc(/N=C(/[N-]c3c(C)cccc3C)C(C)(C)C)c12)C(C)(C)C.[Li+].[Nd+3]
• InChI: InChI=1S/2C36H42N4.C4H10O2.C4H10O.Li.Nd/c2*1-23-15-11-16-24(2)31(23)39-33(35(5,6)7)37-28-21-13-19-27-20-14-22-29(30(27)28)38-34(36(8,9)10)40-32-25(3)17-12-18-26(32)4;1-5-3-4-6-2;1-3-5-4-2;;/h2*11-22H,1-10H3;3-4H2,1-2H3;3-4H2,1-2H3;;/q2*-2;;;+1;+3
• InChIKey: CDTBYJKGVCTSBO-UHFFFAOYSA-N
• XLogP: 21.60
• TPSA: 133.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1376.95
LogP ≤ 5	21.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+)?

The IUPAC name of lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+) (CID 139176899) is lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+).

What is the SMILES notation for lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+)?

The canonical SMILES for lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+) is CCOCC.COCCOC.Cc1cccc(C)c1/N=C(/[N-]c1cccc2cccc(/N=C(/[N-]c3c(C)cccc3C)C(C)(C)C)c12)C(C)(C)C.Cc1cccc(C)c1[N-]/C(=N/c1cccc2cccc(/N=C(/[N-]c3c(C)cccc3C)C(C)(C)C)c12)C(C)(C)C.[Li+].[Nd+3].

What is the InChIKey of lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+)?

The InChIKey is CDTBYJKGVCTSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H42N4.C4H10O2.C4H10O.Li.Nd/c2*1-23-15-11-16-24(2)31(23)39-33(35(5,6)7)37-28-21-13-19-27-20-14-22-29(30(27)28)38-34(36(8,9)10)40-32-25(3)17-12-18-26(32)4;1-5-3-4-6-2;1-3-5-4-2;;/h2*11-22H,1-10H3;3-4H2,1-2H3;3-4H2,1-2H3;;/q2*-2;;;+1;+3.

What are the key properties of lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+)?

lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+) has a molecular weight of 1376.95 g/mol, XLogP of 21.60, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+) is sourced from PubChem (CID 139176899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).