6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene

C69H90N12 — CID 11205486

About 6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene

6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene (PubChem CID 11205486) has the molecular formula C69H90N12 and a molecular weight of 1087.56 g/mol. Its IUPAC name is 6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene.

Molecular Properties

• Compound Name: 6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene
• PubChem CID: 11205486
• Molecular Formula: C69H90N12
• Molecular Weight: 1087.56 g/mol
• Exact Mass: 1086.74
• IUPAC Name: 6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene
• SMILES: c1cc2c3cc4cccc(c4cc3c1)NCCCNCCCNCCCNc1cccc3cc4c(cccc4cc13)NCCCNCCCNCCCNc1cccc3cc4c(cccc4cc13)NCCCNCCCNCCCN2
• InChI: InChI=1S/C69H90N12/c1-16-52-46-59-53-17-2-23-65(59)77-41-11-35-71-30-8-31-73-37-13-43-79-67-25-5-20-56-51-63-57(50-62(56)67)21-6-27-69(63)81-45-15-39-75-33-9-32-74-38-14-44-80-68-26-4-19-55-48-60-54(49-61(55)68)18-3-24-66(60)78-42-12-36-72-29-7-28-70-34-10-40-76-64(22-1)58(52)47-53/h1-6,16-27,46-51,70-81H,7-15,28-45H2
• InChIKey: DULGTOGCTLTMJE-UHFFFAOYSA-N
• XLogP: 12.54
• TPSA: 144.36 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1087.56
LogP ≤ 5	12.54
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene?

The IUPAC name of 6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene (CID 11205486) is 6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene.

What is the SMILES notation for 6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene?

The canonical SMILES for 6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene is c1cc2c3cc4cccc(c4cc3c1)NCCCNCCCNCCCNc1cccc3cc4c(cccc4cc13)NCCCNCCCNCCCNc1cccc3cc4c(cccc4cc13)NCCCNCCCNCCCN2.

What is the InChIKey of 6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene?

The InChIKey is DULGTOGCTLTMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H90N12/c1-16-52-46-59-53-17-2-23-65(59)77-41-11-35-71-30-8-31-73-37-13-43-79-67-25-5-20-56-51-63-57(50-62(56)67)21-6-27-69(63)81-45-15-39-75-33-9-32-74-38-14-44-80-68-26-4-19-55-48-60-54(49-61(55)68)18-3-24-66(60)78-42-12-36-72-29-7-28-70-34-10-40-76-64(22-1)58(52)47-53/h1-6,16-27,46-51,70-81H,7-15,28-45H2.

What are the key properties of 6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene?

6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene has a molecular weight of 1087.56 g/mol, XLogP of 12.54, 0 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6,10,14,18,31,35,39,43,56,60,64,68-dodecazadecacyclo[67.6.2.223,26.248,51.05,75.019,24.044,49.073,77.030,80.055,78]henoctaconta-1(76),2,4,19,21,23(81),24,26(80),27,29,44,46,48,50,52,54,69,71,73(77),74,78-henicosaene is sourced from PubChem (CID 11205486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).