cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

C66H78CoN12O4-4 — CID 21301833

About cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (PubChem CID 21301833) has the molecular formula C66H78CoN12O4-4 and a molecular weight of 1162.36 g/mol. Its IUPAC name is cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.

Molecular Properties

• Compound Name: cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• PubChem CID: 21301833
• Molecular Formula: C66H78CoN12O4-4
• Molecular Weight: 1162.36 g/mol
• Exact Mass: 1161.56
• IUPAC Name: cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• SMILES: CC(C)C(Oc1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cccc(OC(C(C)C)C(C)C)c41)-c1cccc(OC(C(C)C)C(C)C)c1-3)c1c(OC(C(C)C)C(C)C)cccc21)C(C)C.[Co].c1c[n-]cn1.c1c[n-]cn1
• InChI: InChI=1S/C60H72N8O4.2C3H3N2.Co/c1-29(2)49(30(3)4)69-41-25-17-21-37-45(41)57-62-53(37)61-54-38-22-18-27-43(71-51(33(9)10)34(11)12)47(38)59(63-54)68-60-48-40(24-20-28-44(48)72-52(35(13)14)36(15)16)56(67-60)66-58-46-39(55(64-57)65-58)23-19-26-42(46)70-50(31(5)6)32(7)8;2*1-2-5-3-4-1;/h17-36,49-52H,1-16H3;2*1-3H;/q-2;2*-1
• InChIKey: GOQZICSUUPUHFN-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 196.44 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1162.36
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The IUPAC name of cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (CID 21301833) is cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.

What is the SMILES notation for cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The canonical SMILES for cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is CC(C)C(Oc1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cccc(OC(C(C)C)C(C)C)c41)-c1cccc(OC(C(C)C)C(C)C)c1-3)c1c(OC(C(C)C)C(C)C)cccc21)C(C)C.[Co].c1c[n-]cn1.c1c[n-]cn1.

What is the InChIKey of cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The InChIKey is GOQZICSUUPUHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H72N8O4.2C3H3N2.Co/c1-29(2)49(30(3)4)69-41-25-17-21-37-45(41)57-62-53(37)61-54-38-22-18-27-43(71-51(33(9)10)34(11)12)47(38)59(63-54)68-60-48-40(24-20-28-44(48)72-52(35(13)14)36(15)16)56(67-60)66-58-46-39(55(64-57)65-58)23-19-26-42(46)70-50(31(5)6)32(7)8;2*1-2-5-3-4-1;/h17-36,49-52H,1-16H3;2*1-3H;/q-2;2*-1;.

What are the key properties of cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene has a molecular weight of 1162.36 g/mol, XLogP of 14.44, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is sourced from PubChem (CID 21301833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).