3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene

C123H84N12O4+6 — CID 162175059

About 3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene

3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene (PubChem CID 162175059) has the molecular formula C123H84N12O4+6 and a molecular weight of 1794.10 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene
• PubChem CID: 162175059
• Molecular Formula: C123H84N12O4+6
• Molecular Weight: 1794.10 g/mol
• Exact Mass: 1792.67
• IUPAC Name: 3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene
• SMILES: Cc1c(-c2ccc(-c3ccccc3)cc2)c(C)[n+]2n1-c1ccc3c4ccccc4n4c3c1C21c2c(cccc2-4)Oc2cccc[n+]21.Cc1c(-c2ccc(-c3ccccc3)cc2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c2N3c2ccccc2O4)Oc2cccc[n+]21.Cc1c(-c2ccc(-c3ccccc3)cc2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)Oc2cccc[n+]21
• InChI: InChI=1S/C41H28N4O2.2C41H28N4O/c1-25-37(29-20-18-28(19-21-29)27-11-4-3-5-12-27)26(2)45-41-38-31(14-10-15-32(38)44(25)45)43-30-13-6-7-16-33(30)46-35-23-22-34(39(41)40(35)43)47-36-17-8-9-24-42(36)41;1-25-37(29-20-18-28(19-21-29)27-11-4-3-5-12-27)26(2)45-41-38-33(15-10-16-35(38)46-36-17-8-9-24-42(36)41)43-32-14-7-6-13-30(32)31-22-23-34(44(25)45)39(41)40(31)43;1-25-37(29-20-18-28(19-21-29)27-11-4-3-5-12-27)26(2)45-41-38-33(15-10-16-34(38)44(25)45)43-32-14-7-6-13-30(32)31-22-23-35(39(41)40(31)43)46-36-17-8-9-24-42(36)41/h3-24H,1-2H3;2*3-24H,1-2H3/q3*+2
• InChIKey: ZAYAHRNBWYTOHS-UHFFFAOYSA-N
• XLogP: 24.87
• TPSA: 88.09 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1794.10
LogP ≤ 5	24.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene?

The IUPAC name of 3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene (CID 162175059) is 3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene.

What is the SMILES notation for 3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene?

The canonical SMILES for 3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene is Cc1c(-c2ccc(-c3ccccc3)cc2)c(C)[n+]2n1-c1ccc3c4ccccc4n4c3c1C21c2c(cccc2-4)Oc2cccc[n+]21.Cc1c(-c2ccc(-c3ccccc3)cc2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c2N3c2ccccc2O4)Oc2cccc[n+]21.Cc1c(-c2ccc(-c3ccccc3)cc2)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)Oc2cccc[n+]21.

What is the InChIKey of 3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene?

The InChIKey is ZAYAHRNBWYTOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O2.2C41H28N4O/c1-25-37(29-20-18-28(19-21-29)27-11-4-3-5-12-27)26(2)45-41-38-31(14-10-15-32(38)44(25)45)43-30-13-6-7-16-33(30)46-35-23-22-34(39(41)40(35)43)47-36-17-8-9-24-42(36)41;1-25-37(29-20-18-28(19-21-29)27-11-4-3-5-12-27)26(2)45-41-38-33(15-10-16-35(38)46-36-17-8-9-24-42(36)41)43-32-14-7-6-13-30(32)31-22-23-34(44(25)45)39(41)40(31)43;1-25-37(29-20-18-28(19-21-29)27-11-4-3-5-12-27)26(2)45-41-38-33(15-10-16-34(38)44(25)45)43-32-14-7-6-13-30(32)31-22-23-35(39(41)40(31)43)46-36-17-8-9-24-42(36)41/h3-24H,1-2H3;2*3-24H,1-2H3/q3*+2.

What are the key properties of 3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene?

3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene has a molecular weight of 1794.10 g/mol, XLogP of 24.87, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-(4-phenylphenyl)-19,24-dioxa-6,12-diaza-2,30-diazonianonacyclo[18.10.2.11,7.02,6.012,32.013,18.023,31.025,30.011,33]tritriaconta-2,4,7(33),8,10,13,15,17,20(32),21,23(31),25,27,29-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,12-diaza-2,29-diazonianonacyclo[17.10.2.11,7.02,6.012,31.013,18.022,30.024,29.011,32]dotriaconta-2,4,7(32),8,10,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;3,5-dimethyl-4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene is sourced from PubChem (CID 162175059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).