6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene

C64H56N4 — CID 169156528

About 6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene

6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene (PubChem CID 169156528) has the molecular formula C64H56N4 and a molecular weight of 881.18 g/mol. Its IUPAC name is 6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene.

Molecular Properties

• Compound Name: 6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene
• PubChem CID: 169156528
• Molecular Formula: C64H56N4
• Molecular Weight: 881.18 g/mol
• Exact Mass: 880.45
• IUPAC Name: 6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene
• SMILES: Cc1c2c3cc(C(C)(C)C)cc4c5c6c(ncc5n(c2c(C)c2c5cc(C(C)(C)C)cc7c8c9c(ncc8n(c12)c75)C(C)(C)c1ccccc1C9(C)C)c43)C1c2ccccc2C6c2ccccc21
• InChI: InChI=1S/C64H56N4/c1-31-48-40-26-34(62(6,7)8)28-42-52-46(30-66-60-54(52)63(9,10)43-23-17-18-24-44(43)64(60,11)12)68(59(40)42)57(48)32(2)47-39-25-33(61(3,4)5)27-41-51-45(67(56(31)47)58(39)41)29-65-55-50-37-21-15-13-19-35(37)49(53(51)55)36-20-14-16-22-38(36)50/h13-30,49-50H,1-12H3
• InChIKey: PQQDPALFHDGEIO-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.18
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene?

The IUPAC name of 6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene (CID 169156528) is 6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene.

What is the SMILES notation for 6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene?

The canonical SMILES for 6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene is Cc1c2c3cc(C(C)(C)C)cc4c5c6c(ncc5n(c2c(C)c2c5cc(C(C)(C)C)cc7c8c9c(ncc8n(c12)c75)C(C)(C)c1ccccc1C9(C)C)c43)C1c2ccccc2C6c2ccccc21.

What is the InChIKey of 6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene?

The InChIKey is PQQDPALFHDGEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N4/c1-31-48-40-26-34(62(6,7)8)28-42-52-46(30-66-60-54(52)63(9,10)43-23-17-18-24-44(43)64(60,11)12)68(59(40)42)57(48)32(2)47-39-25-33(61(3,4)5)27-41-51-45(67(56(31)47)58(39)41)29-65-55-50-37-21-15-13-19-35(37)49(53(51)55)36-20-14-16-22-38(36)50/h13-30,49-50H,1-12H3.

What are the key properties of 6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene?

6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene has a molecular weight of 881.18 g/mol, XLogP of 15.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,29-ditert-butyl-10,17,17,24,24,33-hexamethyl-12,15,35,38-tetrazapentadecacyclo[38.6.6.14,8.112,27.02,39.03,36.09,34.011,32.013,26.016,25.018,23.041,46.047,52.031,53.035,54]tetrapentaconta-2,4,6,8(54),9(34),10,13,15,18,20,22,25,27,29,31(53),32,36,38,41,43,45,47,49,51-tetracosaene is sourced from PubChem (CID 169156528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).