lithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide

C66H87CoLiN4O5 — CID 139131750

IUPAClithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.Cc1cc(C)c(-c2ccc(C(C)(c3ccc(-c4c(C)cc(C)cc4C)[n-]3)c3ccc(-c4c(C)cc(C)cc4C)[n-]3)[n-]2)c(C)c1.[CH-]1CCOC1.[Co+2].[H+].[Li+].c1ccncc1
InChIInChI=1S/C41H42N3.C5H5N.4C4H8O.C4H7O.Co.Li/c1-23-17-26(4)38(27(5)18-23)32-11-14-35(42-32)41(10,36-15-12-33(43-36)39-28(6)19-24(2)20-29(39)7)37-16-13-34(44-37)40-30(8)21-25(3)22-31(40)9;1-2-4-6-5-3-1;5*1-2-4-5-3-1;;/h11-22H,1-10H3;1-5H;4*1-4H2;1H,2-4H2;;/q-3;;;;;;-1;+2;+1/p+1
InChIKeySEOFGLJUBRPCIB-UHFFFAOYSA-O
MW1082.32 g/mol
LogP11.68
Rot. Bonds6

About lithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide

lithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide (PubChem CID 139131750) has the molecular formula C66H87CoLiN4O5 and a molecular weight of 1082.32 g/mol. Its IUPAC name is lithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide.

Molecular Properties

Compound Namelithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide
PubChem CID139131750
Molecular FormulaC66H87CoLiN4O5
Molecular Weight1082.32 g/mol
Exact Mass1081.62
IUPAC Namelithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.Cc1cc(C)c(-c2ccc(C(C)(c3ccc(-c4c(C)cc(C)cc4C)[n-]3)c3ccc(-c4c(C)cc(C)cc4C)[n-]3)[n-]2)c(C)c1.[CH-]1CCOC1.[Co+2].[H+].[Li+].c1ccncc1
InChIInChI=1S/C41H42N3.C5H5N.4C4H8O.C4H7O.Co.Li/c1-23-17-26(4)38(27(5)18-23)32-11-14-35(42-32)41(10,36-15-12-33(43-36)39-28(6)19-24(2)20-29(39)7)37-16-13-34(44-37)40-30(8)21-25(3)22-31(40)9;1-2-4-6-5-3-1;5*1-2-4-5-3-1;;/h11-22H,1-10H3;1-5H;4*1-4H2;1H,2-4H2;;/q-3;;;;;;-1;+2;+1/p+1
InChIKeySEOFGLJUBRPCIB-UHFFFAOYSA-O
XLogP11.68
TPSA101.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.32
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze lithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide 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 lithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide?
The IUPAC name of lithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide (CID 139131750) is lithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide.
What is the SMILES notation for lithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide?
The canonical SMILES for lithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide is C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.Cc1cc(C)c(-c2ccc(C(C)(c3ccc(-c4c(C)cc(C)cc4C)[n-]3)c3ccc(-c4c(C)cc(C)cc4C)[n-]3)[n-]2)c(C)c1.[CH-]1CCOC1.[Co+2].[H+].[Li+].c1ccncc1.
What is the InChIKey of lithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide?
The InChIKey is SEOFGLJUBRPCIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C41H42N3.C5H5N.4C4H8O.C4H7O.Co.Li/c1-23-17-26(4)38(27(5)18-23)32-11-14-35(42-32)41(10,36-15-12-33(43-36)39-28(6)19-24(2)20-29(39)7)37-16-13-34(44-37)40-30(8)21-25(3)22-31(40)9;1-2-4-6-5-3-1;5*1-2-4-5-3-1;;/h11-22H,1-10H3;1-5H;4*1-4H2;1H,2-4H2;;/q-3;;;;;;-1;+2;+1/p+1.
What are the key properties of lithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide?
lithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide has a molecular weight of 1082.32 g/mol, XLogP of 11.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;cobalt(2+);hydron;oxolane;pyridine;2,3,4,5-tetrahydrofuran-4-ide is sourced from PubChem (CID 139131750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).