cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone

C48H8CoN16O16 — CID 134871505

About cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone

cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone (PubChem CID 134871505) has the molecular formula C48H8CoN16O16 and a molecular weight of 1123.62 g/mol. Its IUPAC name is cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone.

Molecular Properties

• Compound Name: cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone
• PubChem CID: 134871505
• Molecular Formula: C48H8CoN16O16
• Molecular Weight: 1123.62 g/mol
• Exact Mass: 1122.96
• IUPAC Name: cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone
• SMILES: O=c1[nH]c(=O)c2c1c1c(c3c(=O)[nH]c(=O)c32)-c2nc-1nc1[n-]c(nc3nc(nc4[n-]c(n2)c2c5c(=O)[nH]c(=O)c5c5c(=O)[nH]c(=O)c5c42)-c2c-3c3c(=O)[nH]c(=O)c3c3c(=O)[nH]c(=O)c23)c2c3c(=O)[nH]c(=O)c3c3c(=O)[nH]c(=O)c3c12.[Co+2]
• InChI: InChI=1S/C48H10N16O16.Co/c65-33-9-1-2(10-18(17(9)41(73)57-33)42(74)58-34(10)66)26-49-25(1)53-27-3-4(12-20(44(76)60-36(12)68)19-11(3)35(67)59-43(19)75)29(50-27)55-31-7-8(16-24(48(80)64-40(16)72)23-15(7)39(71)63-47(23)79)32(52-31)56-30-6-5(28(51-30)54-26)13-21(45(77)61-37(13)69)22-14(6)38(70)62-46(22)78;/h(H10,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80);/q;+2/p-2
• InChIKey: OEEGYACRQKKEIP-UHFFFAOYSA-L
• XLogP: -4.76
• TPSA: 504.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1123.62
LogP ≤ 5	-4.76
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone?

The IUPAC name of cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone (CID 134871505) is cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone.

What is the SMILES notation for cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone?

The canonical SMILES for cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone is O=c1[nH]c(=O)c2c1c1c(c3c(=O)[nH]c(=O)c32)-c2nc-1nc1[n-]c(nc3nc(nc4[n-]c(n2)c2c5c(=O)[nH]c(=O)c5c5c(=O)[nH]c(=O)c5c42)-c2c-3c3c(=O)[nH]c(=O)c3c3c(=O)[nH]c(=O)c23)c2c3c(=O)[nH]c(=O)c3c3c(=O)[nH]c(=O)c3c12.[Co+2].

What is the InChIKey of cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone?

The InChIKey is OEEGYACRQKKEIP-UHFFFAOYSA-L. The full InChI is InChI=1S/C48H10N16O16.Co/c65-33-9-1-2(10-18(17(9)41(73)57-33)42(74)58-34(10)66)26-49-25(1)53-27-3-4(12-20(44(76)60-36(12)68)19-11(3)35(67)59-43(19)75)29(50-27)55-31-7-8(16-24(48(80)64-40(16)72)23-15(7)39(71)63-47(23)79)32(52-31)56-30-6-5(28(51-30)54-26)13-21(45(77)61-37(13)69)22-14(6)38(70)62-46(22)78;/h(H10,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80);/q;+2/p-2.

What are the key properties of cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone?

cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone has a molecular weight of 1123.62 g/mol, XLogP of -4.76, 0 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);2,7,12,17,22,27,32,37,42,47,52,57,61,63-tetradecaza-62,64-diazanidaheptadecacyclo[46.12.1.13,16.118,31.133,46.04,15.05,9.010,14.019,30.020,24.025,29.034,45.035,39.040,44.049,60.050,54.055,59]tetrahexaconta-1,3,5(9),10(14),15,17,19,24,29,31(63),32,34,39,44,46,48(61),49,54,59-nonadecaene-6,8,11,13,21,23,26,28,36,38,41,43,51,53,56,58-hexadecone is sourced from PubChem (CID 134871505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).