10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene

C88H90N16O6 — CID 134915569

About 10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene

10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene (PubChem CID 134915569) has the molecular formula C88H90N16O6 and a molecular weight of 1467.79 g/mol. Its IUPAC name is 10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene.

Molecular Properties

• Compound Name: 10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene
• PubChem CID: 134915569
• Molecular Formula: C88H90N16O6
• Molecular Weight: 1467.79 g/mol
• Exact Mass: 1466.72
• IUPAC Name: 10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene
• SMILES: CC(C)(C)COc1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccc(OCC(C)(C)C)cc41)-c1cc(OCC(C)(C)C)ccc1-3)c1cc3c4nc5nc(nc6[nH]c(nc7nc(nc([nH]4)c3cc21)-c1cc(OCC(C)(C)C)ccc1-7)c1ccc(OCC(C)(C)C)cc61)-c1ccc(OCC(C)(C)C)cc1-5
• InChI: InChI=1S/C88H90N16O6/c1-83(2,3)39-105-45-19-25-51-57(31-45)73-90-67(51)89-68-52-26-20-47(107-41-85(7,8)9)33-59(52)77(91-68)101-81-65-37-63-64(38-66(65)82(104-81)102-78-62-36-50(110-44-88(16,17)18)23-29-55(62)70(92-73)96-78)80-99-72-56-30-24-49(109-43-87(13,14)15)35-61(56)76(97-72)100-75-60-34-48(108-42-86(10,11)12)22-28-54(60)69(95-75)93-74-58-32-46(106-40-84(4,5)6)21-27-53(58)71(94-74)98-79(63)103-80/h19-38H,39-44H2,1-18H3,(H2,89,90,91,92,96,101,102,104)(H2,93,94,95,97,98,99,100,103)
• InChIKey: UCSIRKGICBPGQV-UHFFFAOYSA-N
• XLogP: 20.60
• TPSA: 273.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1467.79
LogP ≤ 5	20.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene?

The IUPAC name of 10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene (CID 134915569) is 10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene.

What is the SMILES notation for 10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene?

The canonical SMILES for 10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene is CC(C)(C)COc1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccc(OCC(C)(C)C)cc41)-c1cc(OCC(C)(C)C)ccc1-3)c1cc3c4nc5nc(nc6[nH]c(nc7nc(nc([nH]4)c3cc21)-c1cc(OCC(C)(C)C)ccc1-7)c1ccc(OCC(C)(C)C)cc61)-c1ccc(OCC(C)(C)C)cc1-5.

What is the InChIKey of 10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene?

The InChIKey is UCSIRKGICBPGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H90N16O6/c1-83(2,3)39-105-45-19-25-51-57(31-45)73-90-67(51)89-68-52-26-20-47(107-41-85(7,8)9)33-59(52)77(91-68)101-81-65-37-63-64(38-66(65)82(104-81)102-78-62-36-50(110-44-88(16,17)18)23-29-55(62)70(92-73)96-78)80-99-72-56-30-24-49(109-43-87(13,14)15)35-61(56)76(97-72)100-75-60-34-48(108-42-86(10,11)12)22-28-54(60)69(95-75)93-74-58-32-46(106-40-84(4,5)6)21-27-53(58)71(94-74)98-79(63)103-80/h19-38H,39-44H2,1-18H3,(H2,89,90,91,92,96,101,102,104)(H2,93,94,95,97,98,99,100,103).

What are the key properties of 10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene?

10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene has a molecular weight of 1467.79 g/mol, XLogP of 20.60, 12 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 10,19,29,44,53,61-hexakis(2,2-dimethylpropoxy)-6,15,24,33,39,48,57,66,67,68,69,70,71,72,73,74-hexadecazaheptadecacyclo[36.28.1.15,34.17,14.116,23.125,32.140,47.149,56.158,65.02,37.04,35.08,13.017,22.026,31.041,46.050,55.059,64]tetraheptaconta-1(66),2,4,6,8(13),9,11,14(74),15,17(22),18,20,23,25(72),26(31),27,29,32,34,36,38,40(70),41(46),42,44,47,49,51,53,55,57,59(64),60,62,65(68)-pentatriacontaene is sourced from PubChem (CID 134915569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).