20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene

C56H28N4 — CID 101219725

About 20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene

20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene (PubChem CID 101219725) has the molecular formula C56H28N4 and a molecular weight of 756.87 g/mol. Its IUPAC name is 20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene.

Molecular Properties

• Compound Name: 20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene
• PubChem CID: 101219725
• Molecular Formula: C56H28N4
• Molecular Weight: 756.87 g/mol
• Exact Mass: 756.23
• IUPAC Name: 20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene
• SMILES: C1=C=C=c2ccccc2=c2cnc3c(ccc4cc(cnc43)=c3ccccc3=C=C=C=C=c3ccccc3=c3cnc4c(ccc5cc(cnc54)=c4ccccc4=C=1)c3)c2
• InChI: InChI=1S/C56H28N4/c1-2-14-38-18-6-10-22-50(38)46-30-42-27-28-44-32-48(36-60-56(44)54(42)58-34-46)52-24-12-8-20-40(52)16-4-3-15-39-19-7-11-23-51(39)47-31-43-26-25-41-29-45(33-57-53(41)55(43)59-35-47)49-21-9-5-17-37(49)13-1/h5-12,17-36H
• InChIKey: CWXUKRQNVFTGDB-UHFFFAOYSA-N
• XLogP: 7.99
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.87
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene?

The IUPAC name of 20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene (CID 101219725) is 20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene.

What is the SMILES notation for 20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene?

The canonical SMILES for 20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene is C1=C=C=c2ccccc2=c2cnc3c(ccc4cc(cnc43)=c3ccccc3=C=C=C=C=c3ccccc3=c3cnc4c(ccc5cc(cnc54)=c4ccccc4=C=1)c3)c2.

What is the InChIKey of 20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene?

The InChIKey is CWXUKRQNVFTGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H28N4/c1-2-14-38-18-6-10-22-50(38)46-30-42-27-28-44-32-48(36-60-56(44)54(42)58-34-46)52-24-12-8-20-40(52)16-4-3-15-39-19-7-11-23-51(39)47-31-43-26-25-41-29-45(33-57-53(41)55(43)59-35-47)49-21-9-5-17-37(49)13-1/h5-12,17-36H.

What are the key properties of 20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene?

20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene has a molecular weight of 756.87 g/mol, XLogP of 7.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 20,27,48,55-tetrazaundecacyclo[51.3.1.118,22.125,29.146,50.02,7.012,17.021,26.030,35.040,45.049,54]hexaconta-1,3,5,7,8,9,10,11,13,15,17,19,21(26),22(60),23,25(59),27,29,31,33,35,36,37,38,39,41,43,45,47,49(54),50(58),51,53(57),55-tetratriacontaene is sourced from PubChem (CID 101219725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).