trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane

C76H158Li3N10O26- — CID 159935612

About trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane

trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane (PubChem CID 159935612) has the molecular formula C76H158Li3N10O26- and a molecular weight of 1648.97 g/mol. Its IUPAC name is trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane.

Molecular Properties

• Compound Name: trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane
• PubChem CID: 159935612
• Molecular Formula: C76H158Li3N10O26-
• Molecular Weight: 1648.97 g/mol
• Exact Mass: 1648.18
• IUPAC Name: trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane
• SMILES: C1CN2CCOCCOCCN(CCN1)CCOCCOCC2.C1COCCOCCOCCOCCN1.C1COCCOCCOCCOCCOCCN1.C1COCCOCCOCCOCCOCC[N-]1.C1COCCOCCOCCOCC[N-]1.N.[CH2-]CN1CCOCCOCCN(C[CH2-])CCOCCOCC1.[Li+].[Li+].[Li+]
• InChI: InChI=1S/C16H33N3O4.C16H32N2O4.C12H25NO5.C12H24NO5.C10H21NO4.C10H20NO4.3Li.H3N/c1-3-18-5-9-20-13-15-22-11-7-19(4-2-17-1)8-12-23-16-14-21-10-6-18;1-3-17-5-9-19-13-15-21-11-7-18(4-2)8-12-22-16-14-20-10-6-17;2*1-3-14-5-7-16-9-11-18-12-10-17-8-6-15-4-2-13-1;2*1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1;;;;/h17H,1-16H2;1-16H2;13H,1-12H2;1-12H2;11H,1-10H2;1-10H2;;;;1H3/q;-2;;-1;;-1;3*+1
• InChIKey: MGPOEFKOXPHPJB-UHFFFAOYSA-N
• XLogP: -8.99
• TPSA: 352.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 2
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1648.97
LogP ≤ 5	-8.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'crown_ether', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane?

The IUPAC name of trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane (CID 159935612) is trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane.

What is the SMILES notation for trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane?

The canonical SMILES for trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane is C1CN2CCOCCOCCN(CCN1)CCOCCOCC2.C1COCCOCCOCCOCCN1.C1COCCOCCOCCOCCOCCN1.C1COCCOCCOCCOCCOCC[N-]1.C1COCCOCCOCCOCC[N-]1.N.[CH2-]CN1CCOCCOCCN(C[CH2-])CCOCCOCC1.[Li+].[Li+].[Li+].

What is the InChIKey of trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane?

The InChIKey is MGPOEFKOXPHPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O4.C16H32N2O4.C12H25NO5.C12H24NO5.C10H21NO4.C10H20NO4.3Li.H3N/c1-3-18-5-9-20-13-15-22-11-7-19(4-2-17-1)8-12-23-16-14-21-10-6-18;1-3-17-5-9-19-13-15-21-11-7-18(4-2)8-12-22-16-14-20-10-6-17;2*1-3-14-5-7-16-9-11-18-12-10-17-8-6-15-4-2-13-1;2*1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1;;;;/h17H,1-16H2;1-16H2;13H,1-12H2;1-12H2;11H,1-10H2;1-10H2;;;;1H3/q;-2;;-1;;-1;3*+1;.

What are the key properties of trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane?

trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane has a molecular weight of 1648.97 g/mol, XLogP of -8.99, 2 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for trilithium;azane;7,16-di(ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane;1,4,7,10,13-pentaoxa-16-azacyclooctadecane;1,4,7,10,13-pentaoxa-16-azanidacyclooctadecane;1,4,7,10-tetraoxa-13-azacyclopentadecane;1,4,7,10-tetraoxa-13-azanidacyclopentadecane;4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane is sourced from PubChem (CID 159935612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).