1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne

C76H60N8 — CID 102290365

About 1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne

1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne (PubChem CID 102290365) has the molecular formula C76H60N8 and a molecular weight of 1085.37 g/mol. Its IUPAC name is 1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne.

Molecular Properties

• Compound Name: 1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne
• PubChem CID: 102290365
• Molecular Formula: C76H60N8
• Molecular Weight: 1085.37 g/mol
• Exact Mass: 1084.49
• IUPAC Name: 1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne
• SMILES: CC12c3ccc(cc3)C#CC#Cc3ccc(cc3)C3(C)c4ccc([nH]4)Cc4ccc([nH]4)C(C)(c4ccc(cc4)C#CC#Cc4ccc(cc4)C(C)(c4ccc([nH]4)Cc4ccc1[nH]4)c1ccc([nH]1)Cc1ccc2[nH]1)c1ccc([nH]1)Cc1ccc3[nH]1
• InChI: InChI=1S/C76H60N8/c1-73-53-21-13-49(14-22-53)9-5-6-10-50-15-25-55(26-16-50)75(3)69-41-33-61(81-69)47-63-35-43-71(83-63)76(4,72-44-36-64(84-72)48-62-34-42-70(75)82-62)56-27-19-52(20-28-56)12-8-7-11-51-17-23-54(24-18-51)74(2,67-39-31-59(79-67)45-57-29-37-65(73)77-57)68-40-32-60(80-68)46-58-30-38-66(73)78-58/h13-44,77-84H,45-48H2,1-4H3
• InChIKey: PKKYQSNEKFQPDU-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 126.32 Ų
• H-Bond Donors: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1085.37
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne?

The IUPAC name of 1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne (CID 102290365) is 1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne.

What is the SMILES notation for 1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne?

The canonical SMILES for 1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne is CC12c3ccc(cc3)C#CC#Cc3ccc(cc3)C3(C)c4ccc([nH]4)Cc4ccc([nH]4)C(C)(c4ccc(cc4)C#CC#Cc4ccc(cc4)C(C)(c4ccc([nH]4)Cc4ccc1[nH]4)c1ccc([nH]1)Cc1ccc2[nH]1)c1ccc([nH]1)Cc1ccc3[nH]1.

What is the InChIKey of 1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne?

The InChIKey is PKKYQSNEKFQPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H60N8/c1-73-53-21-13-49(14-22-53)9-5-6-10-50-15-25-55(26-16-50)75(3)69-41-33-61(81-69)47-63-35-43-71(83-63)76(4,72-44-36-64(84-72)48-62-34-42-70(75)82-62)56-27-19-52(20-28-56)12-8-7-11-51-17-23-54(24-18-51)74(2,67-39-31-59(79-67)45-57-29-37-65(73)77-57)68-40-32-60(80-68)46-58-30-38-66(73)78-58/h13-44,77-84H,45-48H2,1-4H3.

What are the key properties of 1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne?

1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne has a molecular weight of 1085.37 g/mol, XLogP of 13.84, 0 rotatable bonds, 8 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,14,24,37-tetramethyl-56,57,58,59,73,74,79,80-octazapentadecacyclo[35.9.9.914,24.22,5.210,13.225,28.233,36.115,18.120,23.138,41.143,46.147,50.152,55.164,67.169,72]octaconta-2(78),3,5(77),10,12,15,17,20,22,25(63),26,28(62),33(61),34,36(60),38,40,43,45,47,49,52,54,64,66,69,71,75-octacosaen-6,8,29,31-tetrayne is sourced from PubChem (CID 102290365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).