15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene

C68H76N2O2 — CID 166981971

About 15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene

15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene (PubChem CID 166981971) has the molecular formula C68H76N2O2 and a molecular weight of 953.37 g/mol. Its IUPAC name is 15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene.

Molecular Properties

• Compound Name: 15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene
• PubChem CID: 166981971
• Molecular Formula: C68H76N2O2
• Molecular Weight: 953.37 g/mol
• Exact Mass: 952.59
• IUPAC Name: 15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene
• SMILES: CCCCCCC1(CCCCCC)c2ccccc2N(c2ccccc2)c2ccc3c(oc4cc5c(cc43)oc3c4c(ccc35)N(c3ccccc3)c3ccccc3C4(CCCCCC)CCCCCC)c21
• InChI: InChI=1S/C68H76N2O2/c1-5-9-13-27-43-67(44-28-14-10-6-2)55-35-23-25-37-57(55)69(49-31-19-17-20-32-49)59-41-39-51-53-47-62-54(48-61(53)71-65(51)63(59)67)52-40-42-60-64(66(52)72-62)68(45-29-15-11-7-3,46-30-16-12-8-4)56-36-24-26-38-58(56)70(60)50-33-21-18-22-34-50/h17-26,31-42,47-48H,5-16,27-30,43-46H2,1-4H3
• InChIKey: MRVPSURVEJNWFD-UHFFFAOYSA-N
• XLogP: 21.51
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 22
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.37
LogP ≤ 5	21.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene?

The IUPAC name of 15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene (CID 166981971) is 15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene.

What is the SMILES notation for 15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene?

The canonical SMILES for 15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene is CCCCCCC1(CCCCCC)c2ccccc2N(c2ccccc2)c2ccc3c(oc4cc5c(cc43)oc3c4c(ccc35)N(c3ccccc3)c3ccccc3C4(CCCCCC)CCCCCC)c21.

What is the InChIKey of 15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene?

The InChIKey is MRVPSURVEJNWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H76N2O2/c1-5-9-13-27-43-67(44-28-14-10-6-2)55-35-23-25-37-57(55)69(49-31-19-17-20-32-49)59-41-39-51-53-47-62-54(48-61(53)71-65(51)63(59)67)52-40-42-60-64(66(52)72-62)68(45-29-15-11-7-3,46-30-16-12-8-4)56-36-24-26-38-58(56)70(60)50-33-21-18-22-34-50/h17-26,31-42,47-48H,5-16,27-30,43-46H2,1-4H3.

What are the key properties of 15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene?

15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene has a molecular weight of 953.37 g/mol, XLogP of 21.51, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15,15,33,33-tetrahexyl-8,26-diphenyl-18,36-dioxa-8,26-diazanonacyclo[19.15.0.03,19.04,17.07,16.09,14.022,35.025,34.027,32]hexatriaconta-1(21),2,4(17),5,7(16),9,11,13,19,22(35),23,25(34),27,29,31-pentadecaene is sourced from PubChem (CID 166981971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).