2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene

C52H26N8 — CID 172514729

About 2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene

2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene (PubChem CID 172514729) has the molecular formula C52H26N8 and a molecular weight of 762.84 g/mol. Its IUPAC name is 2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene.

Molecular Properties

• Compound Name: 2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene
• PubChem CID: 172514729
• Molecular Formula: C52H26N8
• Molecular Weight: 762.84 g/mol
• Exact Mass: 762.23
• IUPAC Name: 2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene
• SMILES: c1ccc2cc3c(cc2c1)C1=N/C3=N/C2=N/C(=N/C3=N/C(=N/C4=N/C(=N\1)c1cc5cc6ccccc6cc5cc14)c1cc4ccccc4cc13)c1cc3ccccc3cc12
• InChI: InChI=1S/C52H26N8/c1-2-10-28-18-36-26-44-43(25-35(36)17-27(28)9-1)51-58-49-41-23-33-15-7-5-13-31(33)21-39(41)47(56-49)54-45-37-19-29-11-3-4-12-30(29)20-38(37)46(53-45)55-48-40-22-32-14-6-8-16-34(32)24-42(40)50(57-48)59-52(44)60-51/h1-26H/b54-45+,54-47-,55-46+,55-48-,58-49-,58-51-,59-50+,59-52+
• InChIKey: QZHDZXBPZVCTCM-OFCDHCPLSA-N
• XLogP: 10.59
• TPSA: 98.88 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.84
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene?

The IUPAC name of 2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene (CID 172514729) is 2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene.

What is the SMILES notation for 2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene?

The canonical SMILES for 2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene is c1ccc2cc3c(cc2c1)C1=N/C3=N/C2=N/C(=N/C3=N/C(=N/C4=N/C(=N\1)c1cc5cc6ccccc6cc5cc14)c1cc4ccccc4cc13)c1cc3ccccc3cc12.

What is the InChIKey of 2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene?

The InChIKey is QZHDZXBPZVCTCM-OFCDHCPLSA-N. The full InChI is InChI=1S/C52H26N8/c1-2-10-28-18-36-26-44-43(25-35(36)17-27(28)9-1)51-58-49-41-23-33-15-7-5-13-31(33)21-39(41)47(56-49)54-45-37-19-29-11-3-4-12-30(29)20-38(37)46(53-45)55-48-40-22-32-14-6-8-16-34(32)24-42(40)50(57-48)59-52(44)60-51/h1-26H/b54-45+,54-47-,55-46+,55-48-,58-49-,58-51-,59-50+,59-52+.

What are the key properties of 2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene?

2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene has a molecular weight of 762.84 g/mol, XLogP of 10.59, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,15,28,41,57,58,59,60-octazatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14(60),15,17,19,21,23,25,27(59),28,30,32,34,36,38,40(58),41,43,45,47,49,51,53,55-triacontaene is sourced from PubChem (CID 172514729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).