3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene

C123H84N12O+6 — CID 158456158

About 3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene

3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene (PubChem CID 158456158) has the molecular formula C123H84N12O+6 and a molecular weight of 1746.11 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene.

Molecular Properties

• Compound Name: 3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene
• PubChem CID: 158456158
• Molecular Formula: C123H84N12O+6
• Molecular Weight: 1746.11 g/mol
• Exact Mass: 1744.69
• IUPAC Name: 3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene
• SMILES: Cc1cc(-c2ccccc2)ccc1-c1c[n+]2n(c1C)-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)-c2cccc[n+]21.Cc1cc(-c2ccccc2)ccc1-c1cn2[n+](c1C)C13c4c(cccc4-2)N2c4ccccc4Oc4ccc(c1c42)-c1cccc[n+]13.Cc1cc(-c2ccccc2)ccc1-c1cn2[n+](c1C)C13c4c(cccc4-n4c5ccccc5c5ccc-2c1c54)-c1cccc[n+]13
• InChI: InChI=1S/C41H28N4O.2C41H28N4/c1-25-23-28(27-11-4-3-5-12-27)18-19-29(25)31-24-43-34-15-10-16-35-39(34)41(45(43)26(31)2)38-30(32-13-8-9-22-42(32)41)20-21-37-40(38)44(35)33-14-6-7-17-36(33)46-37;1-25-23-28(27-11-4-3-5-12-27)18-19-29(25)33-24-43-36-21-20-31-30-13-6-7-16-35(30)44-37-17-10-14-32-34-15-8-9-22-42(34)41(38(32)37,39(36)40(31)44)45(43)26(33)2;1-25-23-28(27-11-4-3-5-12-27)18-19-29(25)33-24-43-41-38-32(34-14-8-9-22-42(34)41)21-20-31-30-13-6-7-15-35(30)44(40(31)38)36-16-10-17-37(39(36)41)45(43)26(33)2/h3-24H,1-2H3;2*3-24H,1-2H3/q3*+2
• InChIKey: ISIFVARJKQGFIS-UHFFFAOYSA-N
• XLogP: 24.49
• TPSA: 60.40 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1746.11
LogP ≤ 5	24.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene?

The IUPAC name of 3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene (CID 158456158) is 3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene.

What is the SMILES notation for 3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene?

The canonical SMILES for 3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene is Cc1cc(-c2ccccc2)ccc1-c1c[n+]2n(c1C)-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)-c2cccc[n+]21.Cc1cc(-c2ccccc2)ccc1-c1cn2[n+](c1C)C13c4c(cccc4-2)N2c4ccccc4Oc4ccc(c1c42)-c1cccc[n+]13.Cc1cc(-c2ccccc2)ccc1-c1cn2[n+](c1C)C13c4c(cccc4-n4c5ccccc5c5ccc-2c1c54)-c1cccc[n+]13.

What is the InChIKey of 3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene?

The InChIKey is ISIFVARJKQGFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O.2C41H28N4/c1-25-23-28(27-11-4-3-5-12-27)18-19-29(25)31-24-43-34-15-10-16-35-39(34)41(45(43)26(31)2)38-30(32-13-8-9-22-42(32)41)20-21-37-40(38)44(35)33-14-6-7-17-36(33)46-37;1-25-23-28(27-11-4-3-5-12-27)18-19-29(25)33-24-43-36-21-20-31-30-13-6-7-16-35(30)44-37-17-10-14-32-34-15-8-9-22-42(34)41(38(32)37,39(36)40(31)44)45(43)26(33)2;1-25-23-28(27-11-4-3-5-12-27)18-19-29(25)33-24-43-41-38-32(34-14-8-9-22-42(34)41)21-20-31-30-13-6-7-15-35(30)44(40(31)38)36-16-10-17-37(39(36)41)45(43)26(33)2/h3-24H,1-2H3;2*3-24H,1-2H3/q3*+2.

What are the key properties of 3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene?

3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene has a molecular weight of 1746.11 g/mol, XLogP of 24.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-4-(2-methyl-4-phenylphenyl)-6,17-diaza-2,28-diazonianonacyclo[15.11.2.11,18.02,6.07,29.010,30.011,16.023,28.022,31]hentriaconta-2,4,7(29),8,10(30),11,13,15,18,20,22(31),23,25,27-tetradecaene;25-methyl-26-(2-methyl-4-phenylphenyl)-18,24-diaza-2,28-diazonianonacyclo[16.10.2.11,19.02,7.08,29.011,30.012,17.024,28.023,31]hentriaconta-2,4,6,8(29),9,11(30),12,14,16,19,21,23(31),25,27-tetradecaene;28-methyl-27-(2-methyl-4-phenylphenyl)-12-oxa-19,25-diaza-2,29-diazonianonacyclo[17.10.2.11,20.02,7.08,30.011,31.013,18.025,29.024,32]dotriaconta-2,4,6,8(30),9,11(31),13,15,17,20,22,24(32),26,28-tetradecaene is sourced from PubChem (CID 158456158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).