11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene

C55H37N5+2 — CID 160667002

About 11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene

11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene (PubChem CID 160667002) has the molecular formula C55H37N5+2 and a molecular weight of 767.94 g/mol. Its IUPAC name is 11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene.

Molecular Properties

• Compound Name: 11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene
• PubChem CID: 160667002
• Molecular Formula: C55H37N5+2
• Molecular Weight: 767.94 g/mol
• Exact Mass: 767.30
• IUPAC Name: 11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene
• SMILES: CC1(C)c2ccccc2N2c3c1ccc1c3C34c5c6c(cc7c8ccccc8n-1c57)C(C)(C)c1ccccc1N6c1cc5ccccc5c([n+]13)-c1c3ccccc3cc2[n+]14
• InChI: InChI=1S/C55H37N5/c1-53(2)36-20-10-13-23-41(36)57-44-27-30-15-5-7-17-32(30)49-50-33-18-8-6-16-31(33)28-45-58-42-24-14-11-21-37(42)54(3,4)39-29-35-34-19-9-12-22-40(34)56-43-26-25-38(53)51(57)46(43)55(59(44)49,60(45)50)47(48(35)56)52(39)58/h5-29H,1-4H3/q+2
• InChIKey: WABKQCKGMNYHDO-UHFFFAOYSA-N
• XLogP: 12.10
• TPSA: 19.17 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.94
LogP ≤ 5	12.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene?

The IUPAC name of 11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene (CID 160667002) is 11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene.

What is the SMILES notation for 11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene?

The canonical SMILES for 11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene is CC1(C)c2ccccc2N2c3c1ccc1c3C34c5c6c(cc7c8ccccc8n-1c57)C(C)(C)c1ccccc1N6c1cc5ccccc5c([n+]13)-c1c3ccccc3cc2[n+]14.

What is the InChIKey of 11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene?

The InChIKey is WABKQCKGMNYHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N5/c1-53(2)36-20-10-13-23-41(36)57-44-27-30-15-5-7-17-32(30)49-50-33-18-8-6-16-31(33)28-45-58-42-24-14-11-21-37(42)54(3,4)39-29-35-34-19-9-12-22-40(34)56-43-26-25-38(53)51(57)46(43)55(59(44)49,60(45)50)47(48(35)56)52(39)58/h5-29H,1-4H3/q+2.

What are the key properties of 11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene?

11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene has a molecular weight of 767.94 g/mol, XLogP of 12.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11,11,28,28-tetramethyl-4,16,35-triaza-54,55-diazoniahexadecacyclo[34.18.1.123,27.01,25.02,15.03,12.04,53.05,10.016,24.017,22.026,35.029,34.038,43.044,55.045,54.046,51]hexapentaconta-2(15),3(12),5,7,9,13,17,19,21,23(56),24,26,29,31,33,36,38,40,42,44(55),45(54),46,48,50,52-pentacosaene is sourced from PubChem (CID 160667002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).