4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene

C129H84N18+6 — CID 157493885

About 4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene

4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene (PubChem CID 157493885) has the molecular formula C129H84N18+6 and a molecular weight of 1886.22 g/mol. Its IUPAC name is 4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene.

Molecular Properties

• Compound Name: 4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene
• PubChem CID: 157493885
• Molecular Formula: C129H84N18+6
• Molecular Weight: 1886.22 g/mol
• Exact Mass: 1884.71
• IUPAC Name: 4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene
• SMILES: Cc1c(-c2ccc3ccccn23)c(C)[n+]2n1-c1ccc3c4ccccc4n4c3c1C21c2c-4cccc2-n2c3ccccc3c3ccc[n+]1c32.Cc1c(-c2ccc3ccccn23)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)-n2c3ccccc3c3ccc[n+]1c32.Cc1c(-c2ccc3ccccn23)c(C)[n+]2n1-c1cccc3c1C21c2c4c(cc5c6ccccc6n(c25)-c2cccc[n+]21)c1ccccc1n4-3
• InChI: InChI=1S/3C43H28N6/c1-25-38(34-21-20-27-12-7-9-22-44(27)34)26(2)49-43-39-35(17-11-18-36(39)48(25)49)46-32-15-5-3-13-28(32)30-24-31-29-14-4-6-16-33(29)47(42(31)40(43)41(30)46)37-19-8-10-23-45(37)43;1-25-38(34-21-19-27-11-7-8-23-44(27)34)26(2)49-43-39-35(17-9-18-37(39)48(25)49)46-32-15-5-3-12-28(32)30-20-22-36(40(43)41(30)46)47-33-16-6-4-13-29(33)31-14-10-24-45(43)42(31)47;1-25-38(34-21-19-27-11-7-8-23-44(27)34)26(2)49-43-39-35(46-32-15-5-3-12-28(32)30-20-22-37(48(25)49)40(43)41(30)46)17-9-18-36(39)47-33-16-6-4-13-29(33)31-14-10-24-45(43)42(31)47/h3*3-24H,1-2H3/q3*+2
• InChIKey: PJMCNUYCHZZRQX-UHFFFAOYSA-N
• XLogP: 24.06
• TPSA: 80.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 3
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1886.22
LogP ≤ 5	24.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene?

The IUPAC name of 4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene (CID 157493885) is 4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene.

What is the SMILES notation for 4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene?

The canonical SMILES for 4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene is Cc1c(-c2ccc3ccccn23)c(C)[n+]2n1-c1ccc3c4ccccc4n4c3c1C21c2c-4cccc2-n2c3ccccc3c3ccc[n+]1c32.Cc1c(-c2ccc3ccccn23)c(C)[n+]2n1-c1cccc3c1C21c2c(ccc4c5ccccc5n-3c24)-n2c3ccccc3c3ccc[n+]1c32.Cc1c(-c2ccc3ccccn23)c(C)[n+]2n1-c1cccc3c1C21c2c4c(cc5c6ccccc6n(c25)-c2cccc[n+]21)c1ccccc1n4-3.

What is the InChIKey of 4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene?

The InChIKey is PJMCNUYCHZZRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C43H28N6/c1-25-38(34-21-20-27-12-7-9-22-44(27)34)26(2)49-43-39-35(17-11-18-36(39)48(25)49)46-32-15-5-3-13-28(32)30-24-31-29-14-4-6-16-33(29)47(42(31)40(43)41(30)46)37-19-8-10-23-45(37)43;1-25-38(34-21-19-27-11-7-8-23-44(27)34)26(2)49-43-39-35(17-9-18-37(39)48(25)49)46-32-15-5-3-12-28(32)30-20-22-36(40(43)41(30)46)47-33-16-6-4-13-29(33)31-14-10-24-45(43)42(31)47;1-25-38(34-21-19-27-11-7-8-23-44(27)34)26(2)49-43-39-35(46-32-15-5-3-12-28(32)30-20-22-37(48(25)49)40(43)41(30)46)17-9-18-36(39)47-33-16-6-4-13-29(33)31-14-10-24-45(43)42(31)47/h3*3-24H,1-2H3/q3*+2.

What are the key properties of 4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene?

4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene has a molecular weight of 1886.22 g/mol, XLogP of 24.06, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-indolizin-3-yl-3,5-dimethyl-6,12,23-triaza-2,34-diazoniaundecacyclo[17.15.2.11,7.123,30.02,6.012,36.013,18.022,35.024,29.011,38.034,37]octatriaconta-2,4,7(38),8,10,13,15,17,19(36),20,22(35),24,26,28,30(37),31,33-heptadecaene;32-indolizin-3-yl-31,33-dimethyl-13,19,30-triaza-2,34-diazoniaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14,16,18(37),20,22,24,26(36),27,29(35),31,33-heptadecaene;34-indolizin-3-yl-33,35-dimethyl-8,26,32-triaza-2,36-diazoniaundecacyclo[25.9.1.115,19.01,17.02,7.08,16.09,14.018,26.020,25.031,37.032,36]octatriaconta-2,4,6,9,11,13,15,17,19(38),20,22,24,27,29,31(37),33,35-heptadecaene is sourced from PubChem (CID 157493885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).