3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene

C117H81N15O2+6 — CID 159329089

About 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene

3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene (PubChem CID 159329089) has the molecular formula C117H81N15O2+6 and a molecular weight of 1729.04 g/mol. Its IUPAC name is 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene.

Molecular Properties

• Compound Name: 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene
• PubChem CID: 159329089
• Molecular Formula: C117H81N15O2+6
• Molecular Weight: 1729.04 g/mol
• Exact Mass: 1727.67
• IUPAC Name: 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene
• SMILES: Cc1cc(C)[n+]2n1-c1ccc3c4c1C21c2c(cccc2-n2cc(-c5ccc(-c6ccccc6)cc5)c[n+]21)N4c1ccccc1O3.Cc1cc(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c2N3c2ccccc2O4)-n2cc(-c3ccc(-c4ccccc4)cc3)c[n+]21.Cc1cc(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)-n2cc(-c3ccc(-c4ccccc4)cc3)c[n+]21
• InChI: InChI=1S/2C39H27N5O.C39H27N5/c1-24-21-25(2)44-39-36-32(12-8-13-33(36)43(24)44)42-30-11-6-7-14-34(30)45-35-20-19-31(37(39)38(35)42)40-22-29(23-41(39)40)28-17-15-27(16-18-28)26-9-4-3-5-10-26;1-24-21-25(2)44-39-36-31(40-22-29(23-41(39)40)28-17-15-27(16-18-28)26-9-4-3-5-10-26)12-8-13-32(36)42-30-11-6-7-14-34(30)45-35-20-19-33(43(24)44)37(39)38(35)42;1-24-21-25(2)44-39-36-34(13-8-14-35(36)43(24)44)42-32-12-7-6-11-30(32)31-19-20-33(37(39)38(31)42)40-22-29(23-41(39)40)28-17-15-27(16-18-28)26-9-4-3-5-10-26/h2*3-23H,1-2H3;3-23H,1-2H3/q3*+2
• InChIKey: VMPKWSILORRGGK-UHFFFAOYSA-N
• XLogP: 22.34
• TPSA: 82.73 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1729.04
LogP ≤ 5	22.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene?

The IUPAC name of 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene (CID 159329089) is 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene.

What is the SMILES notation for 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene?

The canonical SMILES for 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene is Cc1cc(C)[n+]2n1-c1ccc3c4c1C21c2c(cccc2-n2cc(-c5ccc(-c6ccccc6)cc5)c[n+]21)N4c1ccccc1O3.Cc1cc(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c2N3c2ccccc2O4)-n2cc(-c3ccc(-c4ccccc4)cc3)c[n+]21.Cc1cc(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)-n2cc(-c3ccc(-c4ccccc4)cc3)c[n+]21.

What is the InChIKey of 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene?

The InChIKey is VMPKWSILORRGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H27N5O.C39H27N5/c1-24-21-25(2)44-39-36-32(12-8-13-33(36)43(24)44)42-30-11-6-7-14-34(30)45-35-20-19-31(37(39)38(35)42)40-22-29(23-41(39)40)28-17-15-27(16-18-28)26-9-4-3-5-10-26;1-24-21-25(2)44-39-36-31(40-22-29(23-41(39)40)28-17-15-27(16-18-28)26-9-4-3-5-10-26)12-8-13-32(36)42-30-11-6-7-14-34(30)45-35-20-19-33(43(24)44)37(39)38(35)42;1-24-21-25(2)44-39-36-34(13-8-14-35(36)43(24)44)42-32-12-7-6-11-30(32)31-19-20-33(37(39)38(31)42)40-22-29(23-41(39)40)28-17-15-27(16-18-28)26-9-4-3-5-10-26/h2*3-23H,1-2H3;3-23H,1-2H3/q3*+2.

What are the key properties of 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene?

3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene has a molecular weight of 1729.04 g/mol, XLogP of 22.34, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-26-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;25,27-dimethyl-4-(4-phenylphenyl)-11-oxa-6,18,24-triaza-2,28-diazonianonacyclo[16.10.2.11,19.02,6.07,29.010,30.012,17.024,28.023,31]hentriaconta-2,4,7(29),8,10(30),12,14,16,19,21,23(31),25,27-tridecaene;24,26-dimethyl-4-(4-phenylphenyl)-6,17,23-triaza-2,27-diazonianonacyclo[15.10.2.11,18.02,6.07,28.010,29.011,16.023,27.022,30]triaconta-2,4,7(28),8,10(29),11,13,15,18,20,22(30),24,26-tridecaene is sourced from PubChem (CID 159329089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).