6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone

C72H108N12O12 — CID 58529200

About 6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone

6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone (PubChem CID 58529200) has the molecular formula C72H108N12O12 and a molecular weight of 1333.73 g/mol. Its IUPAC name is 6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone.

Molecular Properties

• Compound Name: 6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone
• PubChem CID: 58529200
• Molecular Formula: C72H108N12O12
• Molecular Weight: 1333.73 g/mol
• Exact Mass: 1332.82
• IUPAC Name: 6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone
• SMILES: CN1CCCCc2c(c(=O)c2=O)CCCCN(C)CCCCc2c(c(=O)c2=O)CCCCN(C)CCCNc2c(c(=O)c2=O)NCCCN(C)CCCNc2c(c(=O)c2=O)NCCCN(C)CCCNc2c(c(=O)c2=O)NCCCN(C)CCCCc2c(c(=O)c2=O)CCCC1
• InChI: InChI=1S/C72H108N12O12/c1-79-37-13-7-25-49-50(62(86)61(49)85)26-8-14-38-80(2)40-16-10-28-52-54(66(90)64(52)88)30-12-18-42-82(4)44-20-32-74-56-58(70(94)68(56)92)76-34-22-46-84(6)48-24-36-78-60-59(71(95)72(60)96)77-35-23-47-83(5)45-21-33-75-57-55(67(91)69(57)93)73-31-19-43-81(3)41-17-11-29-53-51(27-9-15-39-79)63(87)65(53)89/h73-78H,7-48H2,1-6H3
• InChIKey: GGNBLFSZWQBWSV-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 296.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1333.73
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone?

The IUPAC name of 6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone (CID 58529200) is 6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone.

What is the SMILES notation for 6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone?

The canonical SMILES for 6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone is CN1CCCCc2c(c(=O)c2=O)CCCCN(C)CCCCc2c(c(=O)c2=O)CCCCN(C)CCCNc2c(c(=O)c2=O)NCCCN(C)CCCNc2c(c(=O)c2=O)NCCCN(C)CCCNc2c(c(=O)c2=O)NCCCN(C)CCCCc2c(c(=O)c2=O)CCCC1.

What is the InChIKey of 6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone?

The InChIKey is GGNBLFSZWQBWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H108N12O12/c1-79-37-13-7-25-49-50(62(86)61(49)85)26-8-14-38-80(2)40-16-10-28-52-54(66(90)64(52)88)30-12-18-42-82(4)44-20-32-74-56-58(70(94)68(56)92)76-34-22-46-84(6)48-24-36-78-60-59(71(95)72(60)96)77-35-23-47-83(5)45-21-33-75-57-55(67(91)69(57)93)73-31-19-43-81(3)41-17-11-29-53-51(27-9-15-39-79)63(87)65(53)89/h73-78H,7-48H2,1-6H3.

What are the key properties of 6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone?

6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone has a molecular weight of 1333.73 g/mol, XLogP of 2.12, 0 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6,19,32,45,58,71-hexamethyl-2,6,10,15,19,23,28,32,45,58,71,75-dodecazaheptacyclo[74.2.0.011,14.024,27.037,40.050,53.063,66]octaheptaconta-1(76),11(14),24(27),37(40),50(53),63(66)-hexaene-12,13,25,26,38,39,51,52,64,65,77,78-dodecone is sourced from PubChem (CID 58529200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).