5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+)

C42H42EuN12O2+3 — CID 3081729

About 5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+)

5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+) (PubChem CID 3081729) has the molecular formula C42H42EuN12O2+3 and a molecular weight of 898.84 g/mol. Its IUPAC name is 5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+).

Molecular Properties

• Compound Name: 5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+)
• PubChem CID: 3081729
• Molecular Formula: C42H42EuN12O2+3
• Molecular Weight: 898.84 g/mol
• Exact Mass: 899.27
• IUPAC Name: 5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+)
• SMILES: NCCNC(=O)c1cc2nc(c1)-c1cc(C(=O)NCCN)cc(n1)CN1Cc3cccc(n3)-c3cccc(n3)CN(Cc3cccc(n3)-c3cccc(n3)C1)C2.[Eu+3]
• InChI: InChI=1S/C42H42N12O2.Eu/c43-13-15-45-41(55)27-17-33-25-53-21-29-5-1-9-35(47-29)36-10-2-6-30(48-36)23-54(24-32-8-4-12-38(50-32)37-11-3-7-31(22-53)49-37)26-34-18-28(42(56)46-16-14-44)20-40(52-34)39(19-27)51-33;/h1-12,17-20H,13-16,21-26,43-44H2,(H,45,55)(H,46,56);/q;+3
• InChIKey: GWQVMPWSEVRGPY-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 194.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.84
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+)?

The IUPAC name of 5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+) (CID 3081729) is 5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+).

What is the SMILES notation for 5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+)?

The canonical SMILES for 5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+) is NCCNC(=O)c1cc2nc(c1)-c1cc(C(=O)NCCN)cc(n1)CN1Cc3cccc(n3)-c3cccc(n3)CN(Cc3cccc(n3)-c3cccc(n3)C1)C2.[Eu+3].

What is the InChIKey of 5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+)?

The InChIKey is GWQVMPWSEVRGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42N12O2.Eu/c43-13-15-45-41(55)27-17-33-25-53-21-29-5-1-9-35(47-29)36-10-2-6-30(48-36)23-54(24-32-8-4-12-38(50-32)37-11-3-7-31(22-53)49-37)26-34-18-28(42(56)46-16-14-44)20-40(52-34)39(19-27)51-33;/h1-12,17-20H,13-16,21-26,43-44H2,(H,45,55)(H,46,56);/q;+3.

What are the key properties of 5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+)?

5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+) has a molecular weight of 898.84 g/mol, XLogP of 3.47, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,10-N-bis(2-aminoethyl)-1,14,39,40,41,42,43,44-octazaoctacyclo[12.12.12.13,7.18,12.116,20.121,25.128,32.133,37]tetratetraconta-3(44),4,6,8,10,12(43),16(42),17,19,21,23,25(41),28(40),29,31,33,35,37(39)-octadecaene-5,10-dicarboxamide;europium(3+) is sourced from PubChem (CID 3081729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).