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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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

C₁₂₁H₈₉N₁₅O₂+6 — CID 157327061

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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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 157327061) has the molecular formula C₁₂₁H₈₉N₁₅O₂+6 and a molecular weight of 1785.15 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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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: 157327061
• Molecular Formula: C₁₂₁H₈₉N₁₅O₂+6
• Molecular Weight: 1785.15 g/mol
• Exact Mass: 1783.73
• 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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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)-n2c(C)c(-c3ccc(-c4ccccc4)cc3)c(C)[n+]21.Cc1cc(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)-n2c(C)c(-c3ccc(-c4ccccc4)cc3)c(C)[n+]21
• InChI: InChI=1S/C41H31N5O.C41H31N5.C39H27N5O/c1-24-23-25(2)45-41-38-32(14-10-15-33(38)43(24)45)42-31-13-8-9-16-35(31)47-36-22-21-34(39(41)40(36)42)44-26(3)37(27(4)46(41)44)30-19-17-29(18-20-30)28-11-6-5-7-12-28;1-24-23-25(2)45-41-38-34(15-10-16-35(38)43(24)45)42-33-14-9-8-13-31(33)32-21-22-36(39(41)40(32)42)44-26(3)37(27(4)46(41)44)30-19-17-29(18-20-30)28-11-6-5-7-12-28;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/h5-23H,1-4H3;5-23H,1-4H3;3-23H,1-2H3/q3*+2
• InChIKey: KKDIRDZZSAWMIV-UHFFFAOYSA-N
• XLogP: 23.58
• TPSA: 82.73 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1785.15
LogP ≤ 5	23.58
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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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 157327061) 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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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)-n2c(C)c(-c3ccc(-c4ccccc4)cc3)c(C)[n+]21.Cc1cc(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)-n2c(C)c(-c3ccc(-c4ccccc4)cc3)c(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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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 KKDIRDZZSAWMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N5O.C41H31N5.C39H27N5O/c1-24-23-25(2)45-41-38-32(14-10-15-33(38)43(24)45)42-31-13-8-9-16-35(31)47-36-22-21-34(39(41)40(36)42)44-26(3)37(27(4)46(41)44)30-19-17-29(18-20-30)28-11-6-5-7-12-28;1-24-23-25(2)45-41-38-34(15-10-16-35(38)43(24)45)42-33-14-9-8-13-31(33)32-21-22-36(39(41)40(32)42)44-26(3)37(27(4)46(41)44)30-19-17-29(18-20-30)28-11-6-5-7-12-28;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/h5-23H,1-4H3;5-23H,1-4H3;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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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 1785.15 g/mol, XLogP of 23.58, 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;3,5,25,27-tetramethyl-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;3,5,24,26-tetramethyl-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 157327061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157327061 — identifiers, structure, computed properties (public domain)

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