trilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane

C97H112CeLi3O14 — CID 139048372

IUPACtrilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.CCCCC.[Ce+3].[Li+].[Li+].[Li+].[O-]c1ccc2ccccc2c1-c1c([O-])ccc2ccccc12.[O-]c1ccc2ccccc2c1-c1c([O-])ccc2ccccc12.[O-]c1ccc2ccccc2c1-c1c([O-])ccc2ccccc12
InChIInChI=1S/3C20H14O2.C5H12.8C4H8O.Ce.3Li/c3*21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-5-4-2;8*1-2-4-5-3-1;;;;/h3*1-12,21-22H;3-5H2,1-2H3;8*1-4H2;;;;/q;;;;;;;;;;;;+3;3*+1/p-6
InChIKeyUEQITIZCRONSAQ-UHFFFAOYSA-H
MW1662.89 g/mol
LogP11.00
Rot. Bonds5

About trilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane

trilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane (PubChem CID 139048372) has the molecular formula C97H112CeLi3O14 and a molecular weight of 1662.89 g/mol. Its IUPAC name is trilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane.

Molecular Properties

Compound Nametrilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane
PubChem CID139048372
Molecular FormulaC97H112CeLi3O14
Molecular Weight1662.89 g/mol
Exact Mass1661.76
IUPAC Nametrilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.CCCCC.[Ce+3].[Li+].[Li+].[Li+].[O-]c1ccc2ccccc2c1-c1c([O-])ccc2ccccc12.[O-]c1ccc2ccccc2c1-c1c([O-])ccc2ccccc12.[O-]c1ccc2ccccc2c1-c1c([O-])ccc2ccccc12
InChIInChI=1S/3C20H14O2.C5H12.8C4H8O.Ce.3Li/c3*21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-5-4-2;8*1-2-4-5-3-1;;;;/h3*1-12,21-22H;3-5H2,1-2H3;8*1-4H2;;;;/q;;;;;;;;;;;;+3;3*+1/p-6
InChIKeyUEQITIZCRONSAQ-UHFFFAOYSA-H
XLogP11.00
TPSA212.20 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001662.89
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

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12,15,18,21,42,45,48,51-octaoxanonacyclo[50.8.0.02,11.03,8.022,31.025,30.032,41.033,38.055,60]hexaconta-1(52),2(11),3,5,7,9,22(31),23,25,27,29,32(41),33,35,37,39,53,55,57,59-icosaene
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Frequently Asked Questions

What is the IUPAC name of trilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane?
The IUPAC name of trilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane (CID 139048372) is trilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane.
What is the SMILES notation for trilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane?
The canonical SMILES for trilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane is C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.CCCCC.[Ce+3].[Li+].[Li+].[Li+].[O-]c1ccc2ccccc2c1-c1c([O-])ccc2ccccc12.[O-]c1ccc2ccccc2c1-c1c([O-])ccc2ccccc12.[O-]c1ccc2ccccc2c1-c1c([O-])ccc2ccccc12.
What is the InChIKey of trilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane?
The InChIKey is UEQITIZCRONSAQ-UHFFFAOYSA-H. The full InChI is InChI=1S/3C20H14O2.C5H12.8C4H8O.Ce.3Li/c3*21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;1-3-5-4-2;8*1-2-4-5-3-1;;;;/h3*1-12,21-22H;3-5H2,1-2H3;8*1-4H2;;;;/q;;;;;;;;;;;;+3;3*+1/p-6.
What are the key properties of trilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane?
trilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane has a molecular weight of 1662.89 g/mol, XLogP of 11.00, 5 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;cerium(3+);tris(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate);oxolane;pentane is sourced from PubChem (CID 139048372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).