dilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine)

C136H184La2Li2N4O14 — CID 139139582

IUPACdilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine)
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.[La+3].[La+3].[Li+].[Li+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/4C23H32O2.2C10H8N2.6C4H8O.2La.2Li/c4*1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*1-2-4-5-3-1;;;;/h4*9-12,24-25H,13H2,1-8H3;2*1-8H;6*1-4H2;;;;/q;;;;;;;;;;;;2*+3;2*+1/p-8
InChIKeyNLOHAOKLLOBEKY-UHFFFAOYSA-F
MW2390.68 g/mol
LogP21.62
Rot. Bonds10

About dilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine)

dilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine) (PubChem CID 139139582) has the molecular formula C136H184La2Li2N4O14 and a molecular weight of 2390.68 g/mol. Its IUPAC name is dilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namedilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine)
PubChem CID139139582
Molecular FormulaC136H184La2Li2N4O14
Molecular Weight2390.68 g/mol
Exact Mass2389.23
IUPAC Namedilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine)
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.[La+3].[La+3].[Li+].[Li+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/4C23H32O2.2C10H8N2.6C4H8O.2La.2Li/c4*1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*1-2-4-5-3-1;;;;/h4*9-12,24-25H,13H2,1-8H3;2*1-8H;6*1-4H2;;;;/q;;;;;;;;;;;;2*+3;2*+1/p-8
InChIKeyNLOHAOKLLOBEKY-UHFFFAOYSA-F
XLogP21.62
TPSA291.42 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002390.68
LogP ≤ 521.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze dilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine)?
The IUPAC name of dilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine) (CID 139139582) is dilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for dilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for dilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine) is C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.[La+3].[La+3].[Li+].[Li+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine)?
The InChIKey is NLOHAOKLLOBEKY-UHFFFAOYSA-F. The full InChI is InChI=1S/4C23H32O2.2C10H8N2.6C4H8O.2La.2Li/c4*1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*1-2-4-5-3-1;;;;/h4*9-12,24-25H,13H2,1-8H3;2*1-8H;6*1-4H2;;;;/q;;;;;;;;;;;;2*+3;2*+1/p-8.
What are the key properties of dilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine)?
dilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine) has a molecular weight of 2390.68 g/mol, XLogP of 21.62, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;tetrakis(2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl]-4-methylphenolate);bis(lanthanum(3+));oxolane;bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139139582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).