13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene

C60H88F2N4Se2 — CID 176857500

About 13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene

13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene (PubChem CID 176857500) has the molecular formula C60H88F2N4Se2 and a molecular weight of 1061.31 g/mol. Its IUPAC name is 13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene.

Molecular Properties

• Compound Name: 13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene
• PubChem CID: 176857500
• Molecular Formula: C60H88F2N4Se2
• Molecular Weight: 1061.31 g/mol
• Exact Mass: 1062.53
• IUPAC Name: 13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene
• SMILES: CCCCCCCCCCC1(CCCCCCCCCC)c2ccc3n[se]nc3c2-c2c(F)c3c(c(F)c21)-c1c(ccc2n[se]nc12)C3(CCCCCCCCCC)CCCCCCCCCC
• InChI: InChI=1S/C60H88F2N4Se2/c1-5-9-13-17-21-25-29-33-41-59(42-34-30-26-22-18-14-10-6-2)45-37-39-47-57(65-67-63-47)49(45)51-53(59)55(61)52-50-46(38-40-48-58(50)66-68-64-48)60(54(52)56(51)62,43-35-31-27-23-19-15-11-7-3)44-36-32-28-24-20-16-12-8-4/h37-40H,5-36,41-44H2,1-4H3
• InChIKey: XAPSAOXZHOYWNG-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 36
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.31
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene?

The IUPAC name of 13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene (CID 176857500) is 13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene.

What is the SMILES notation for 13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene?

The canonical SMILES for 13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene is CCCCCCCCCCC1(CCCCCCCCCC)c2ccc3n[se]nc3c2-c2c(F)c3c(c(F)c21)-c1c(ccc2n[se]nc12)C3(CCCCCCCCCC)CCCCCCCCCC.

What is the InChIKey of 13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene?

The InChIKey is XAPSAOXZHOYWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H88F2N4Se2/c1-5-9-13-17-21-25-29-33-41-59(42-34-30-26-22-18-14-10-6-2)45-37-39-47-57(65-67-63-47)49(45)51-53(59)55(61)52-50-46(38-40-48-58(50)66-68-64-48)60(54(52)56(51)62,43-35-31-27-23-19-15-11-7-3)44-36-32-28-24-20-16-12-8-4/h37-40H,5-36,41-44H2,1-4H3.

What are the key properties of 13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene?

13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene has a molecular weight of 1061.31 g/mol, XLogP of 18.62, 36 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 13,13,26,26-tetrakis-decyl-2,15-difluoro-7,20-diselena-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1,3(14),4(12),5,8,10,15,17(25),18,21,23-undecaene is sourced from PubChem (CID 176857500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).