61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione

C80H64N8O4 — CID 58811019

About 61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione

61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione (PubChem CID 58811019) has the molecular formula C80H64N8O4 and a molecular weight of 1201.44 g/mol. Its IUPAC name is 61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione.

Molecular Properties

• Compound Name: 61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione
• PubChem CID: 58811019
• Molecular Formula: C80H64N8O4
• Molecular Weight: 1201.44 g/mol
• Exact Mass: 1200.51
• IUPAC Name: 61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione
• SMILES: CC1(C)Cc2cccc(c2)C(=O)Nc2ccccc2-c2c3nc(c4c5ccc([nH]5)c(c5nc(c(c6ccc2[nH]6)-c2ccccc2NC(O)c2cccc(c2)C(C)(C)Cc2cccc(c2)C(=O)Nc2ccccc2-4)C=C5)-c2ccccc2NC(=O)c2cccc1c2)C=C3
• InChI: InChI=1S/C80H64N8O4/c1-79(2)45-47-17-13-19-49(41-47)75(89)85-59-29-9-5-25-55(59)71-63-33-34-64(81-63)72-56-26-6-10-30-60(56)86-76(90)50-20-14-18-48(42-50)46-80(3,4)54-24-16-22-52(44-54)78(92)88-62-32-12-8-28-58(62)74(68-38-36-65(71)83-68)70-40-39-69(84-70)73(67-37-35-66(72)82-67)57-27-7-11-31-61(57)87-77(91)51-21-15-23-53(79)43-51/h5-44,77,82-83,87,91H,45-46H2,1-4H3,(H,85,89)(H,86,90)(H,88,92)/b71-63-,71-65+,72-64-,72-66-,73-67-,73-69+,74-68-,74-70-
• InChIKey: UVSAOIVFCCXITI-ALPQTCKSSA-N
• XLogP: 17.85
• TPSA: 176.92 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1201.44
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione?

The IUPAC name of 61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione (CID 58811019) is 61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione.

What is the SMILES notation for 61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione?

The canonical SMILES for 61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione is CC1(C)Cc2cccc(c2)C(=O)Nc2ccccc2-c2c3nc(c4c5ccc([nH]5)c(c5nc(c(c6ccc2[nH]6)-c2ccccc2NC(O)c2cccc(c2)C(C)(C)Cc2cccc(c2)C(=O)Nc2ccccc2-4)C=C5)-c2ccccc2NC(=O)c2cccc1c2)C=C3.

What is the InChIKey of 61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione?

The InChIKey is UVSAOIVFCCXITI-ALPQTCKSSA-N. The full InChI is InChI=1S/C80H64N8O4/c1-79(2)45-47-17-13-19-49(41-47)75(89)85-59-29-9-5-25-55(59)71-63-33-34-64(81-63)72-56-26-6-10-30-60(56)86-76(90)50-20-14-18-48(42-50)46-80(3,4)54-24-16-22-52(44-54)78(92)88-62-32-12-8-28-58(62)74(68-38-36-65(71)83-68)70-40-39-69(84-70)73(67-37-35-66(72)82-67)57-27-7-11-31-61(57)87-77(91)51-21-15-23-53(79)43-51/h5-44,77,82-83,87,91H,45-46H2,1-4H3,(H,85,89)(H,86,90)(H,88,92)/b71-63-,71-65+,72-64-,72-66-,73-67-,73-69+,74-68-,74-70-.

What are the key properties of 61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione?

61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione has a molecular weight of 1201.44 g/mol, XLogP of 17.85, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 61-hydroxy-21,21,55,55-tetramethyl-13,28,47,62,73,80,83,84-octazapentadecacyclo[33.33.4.46,40.12,5.115,19.122,26.136,39.149,53.156,60.169,72.07,12.029,34.041,46.063,68.176,79]tetraoctaconta-1,3,5,7,9,11,15,17,19(82),22,24,26(81),29,31,33,35(72),36,38,40(76),41,43,45,49,51,53(75),56,58,60(74),63,65,67,69(73),70,77,79(84)-pentatriacontaene-14,27,48-trione is sourced from PubChem (CID 58811019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).