tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium

C68H58N10O4U2-12 — CID 139158352

About tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium

tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium (PubChem CID 139158352) has the molecular formula C68H58N10O4U2-12 and a molecular weight of 1555.34 g/mol. Its IUPAC name is tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium.

Molecular Properties

• Compound Name: tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium
• PubChem CID: 139158352
• Molecular Formula: C68H58N10O4U2-12
• Molecular Weight: 1555.34 g/mol
• Exact Mass: 1554.57
• IUPAC Name: tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium
• SMILES: CCC1(CC)c2ccc([n-]2)C=Nc2cccc3cc4cccc(c4cc23)/N=C/c2ccc([n-]2)C(CC)(CC)c2ccc([n-]2)/C=N\c2cccc3cc4cccc(c4cc23)/N=C/c2ccc1[n-]2.[O-2].[O-2].[O-2].[O-2].[U].[U].c1ccncc1.c1ccncc1
• InChI: InChI=1S/C58H48N8.2C5H5N.4O.2U/c1-5-57(6-2)53-25-21-41(63-53)33-59-49-17-9-13-37-29-39-15-11-19-51(47(39)31-45(37)49)61-35-43-23-27-55(65-43)58(7-3,8-4)56-28-24-44(66-56)36-62-52-20-12-16-40-30-38-14-10-18-50(46(38)32-48(40)52)60-34-42-22-26-54(57)64-42;2*1-2-4-6-5-3-1;;;;;;/h9-36H,5-8H2,1-4H3;2*1-5H;;;;;;/q-4;;;4*-2;;/b59-33-,60-34+,61-35-,62-36?
• InChIKey: DNQDWMKSDSXSHV-UFEWCOQBSA-N
• XLogP: 15.34
• TPSA: 245.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1555.34
LogP ≤ 5	15.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium?

The IUPAC name of tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium (CID 139158352) is tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium.

What is the SMILES notation for tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium?

The canonical SMILES for tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium is CCC1(CC)c2ccc([n-]2)C=Nc2cccc3cc4cccc(c4cc23)/N=C/c2ccc([n-]2)C(CC)(CC)c2ccc([n-]2)/C=N\c2cccc3cc4cccc(c4cc23)/N=C/c2ccc1[n-]2.[O-2].[O-2].[O-2].[O-2].[U].[U].c1ccncc1.c1ccncc1.

What is the InChIKey of tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium?

The InChIKey is DNQDWMKSDSXSHV-UFEWCOQBSA-N. The full InChI is InChI=1S/C58H48N8.2C5H5N.4O.2U/c1-5-57(6-2)53-25-21-41(63-53)33-59-49-17-9-13-37-29-39-15-11-19-51(47(39)31-45(37)49)61-35-43-23-27-55(65-43)58(7-3,8-4)56-28-24-44(66-56)36-62-52-20-12-16-40-30-38-14-10-18-50(46(38)32-48(40)52)60-34-42-22-26-54(57)64-42;2*1-2-4-6-5-3-1;;;;;;/h9-36H,5-8H2,1-4H3;2*1-5H;;;;;;/q-4;;;4*-2;;/b59-33-,60-34+,61-35-,62-36?;;;;;;;;.

What are the key properties of tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium?

tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium has a molecular weight of 1555.34 g/mol, XLogP of 15.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(oxygen(2-));bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene;uranium is sourced from PubChem (CID 139158352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).