11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

C126H98N10 — CID 158644022

About 11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene (PubChem CID 158644022) has the molecular formula C126H98N10 and a molecular weight of 1752.24 g/mol. Its IUPAC name is 11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene.

Molecular Properties

• Compound Name: 11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
• PubChem CID: 158644022
• Molecular Formula: C126H98N10
• Molecular Weight: 1752.24 g/mol
• Exact Mass: 1750.80
• IUPAC Name: 11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
• SMILES: CCN1c2cc3ccccc3cc2-c2ccccc2-n2c1cc1ccccc12.CCN1c2ccc3ccccc3c2-c2ccccc2-n2c1cc1ccccc12.CCN1c2ccccc2-c2cc3ccccc3cc2-n2c1cc1ccccc12.CCN1c2ccccc2-c2ccccc2-n2c1cc1cc3ccccc3cc12.CCN1c2ccccc2-c2ccccc2-n2c1cc1ccccc12
• InChI: InChI=1S/4C26H20N2.C22H18N2/c1-2-27-24-16-15-18-9-3-5-11-20(18)26(24)21-12-6-8-14-23(21)28-22-13-7-4-10-19(22)17-25(27)28;1-2-27-23-13-7-5-11-21(23)22-12-6-8-14-24(22)28-25-16-19-10-4-3-9-18(19)15-20(25)17-26(27)28;1-2-27-25-16-19-10-4-3-9-18(19)15-22(25)21-12-6-8-14-24(21)28-23-13-7-5-11-20(23)17-26(27)28;1-2-27-24-14-8-6-12-21(24)22-15-18-9-3-4-10-19(18)16-25(22)28-23-13-7-5-11-20(23)17-26(27)28;1-2-23-20-13-7-4-10-17(20)18-11-5-8-14-21(18)24-19-12-6-3-9-16(19)15-22(23)24/h4*3-17H,2H2,1H3;3-15H,2H2,1H3
• InChIKey: IASXJCIXTOBODU-UHFFFAOYSA-N
• XLogP: 33.46
• TPSA: 40.85 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1752.24
LogP ≤ 5	33.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

The IUPAC name of 11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene (CID 158644022) is 11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene.

What is the SMILES notation for 11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

The canonical SMILES for 11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene is CCN1c2cc3ccccc3cc2-c2ccccc2-n2c1cc1ccccc12.CCN1c2ccc3ccccc3c2-c2ccccc2-n2c1cc1ccccc12.CCN1c2ccccc2-c2cc3ccccc3cc2-n2c1cc1ccccc12.CCN1c2ccccc2-c2ccccc2-n2c1cc1cc3ccccc3cc12.CCN1c2ccccc2-c2ccccc2-n2c1cc1ccccc12.

What is the InChIKey of 11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

The InChIKey is IASXJCIXTOBODU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C26H20N2.C22H18N2/c1-2-27-24-16-15-18-9-3-5-11-20(18)26(24)21-12-6-8-14-23(21)28-22-13-7-4-10-19(22)17-25(27)28;1-2-27-23-13-7-5-11-21(23)22-12-6-8-14-24(22)28-25-16-19-10-4-3-9-18(19)15-20(25)17-26(27)28;1-2-27-25-16-19-10-4-3-9-18(19)15-22(25)21-12-6-8-14-24(21)28-23-13-7-5-11-20(23)17-26(27)28;1-2-27-24-14-8-6-12-21(24)22-15-18-9-3-4-10-19(18)16-25(22)28-23-13-7-5-11-20(23)17-26(27)28;1-2-23-20-13-7-4-10-17(20)18-11-5-8-14-21(18)24-19-12-6-3-9-16(19)15-22(23)24/h4*3-17H,2H2,1H3;3-15H,2H2,1H3.

What are the key properties of 11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene has a molecular weight of 1752.24 g/mol, XLogP of 33.46, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 11-ethyl-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-ethyl-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;17-ethyl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-ethyl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene is sourced from PubChem (CID 158644022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).