6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene

C92H46 — CID 159123818

About 6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene

6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene (PubChem CID 159123818) has the molecular formula C92H46 and a molecular weight of 1151.38 g/mol. Its IUPAC name is 6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene.

Molecular Properties

• Compound Name: 6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene
• PubChem CID: 159123818
• Molecular Formula: C92H46
• Molecular Weight: 1151.38 g/mol
• Exact Mass: 1150.36
• IUPAC Name: 6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene
• SMILES: Cc1c(C)c2c3cc4c5ccccc5c5c(C)c(C)c6c7ccc8c9ccccc9c9c(C)c(C)c%10c%11cc%12c%13ccccc%13c%13c(C)c(C)c%14c%15ccc%16c%17ccccc%17c1c1c%16c%15c%15c(c21)c1c3c2c4c5c6c3c4c7c8c9c%10c4c4c%11c5c%12c%13c%14c%15c5c1c4c23
• InChI: InChI=1S/C92H46/c1-31-35(5)59-49-27-25-47-39-17-9-13-21-43(39)55-33(3)38(8)62-54-30-52-42-20-12-16-24-46(42)58-32(2)36(6)60-50-28-26-48-40-18-10-14-22-44(40)56-34(4)37(7)61-53-29-51-41-19-11-15-23-45(41)57(31)73-67(51)79-69(53)83-86-78(61)72(56)64(48)66(50)82(86)88-76(60)74(58)68(52)80-70(54)84-85-77(62)71(55)63(47)65(49)81(85)87(75(59)73)89(79)91(84)92(83)90(80)88/h9-30H,1-8H3
• InChIKey: IBRISTZVOZZCGR-UHFFFAOYSA-N
• XLogP: 26.86
• TPSA: 0.00 Ų
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1151.38
LogP ≤ 5	26.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene?

The IUPAC name of 6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene (CID 159123818) is 6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene.

What is the SMILES notation for 6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene?

The canonical SMILES for 6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene is Cc1c(C)c2c3cc4c5ccccc5c5c(C)c(C)c6c7ccc8c9ccccc9c9c(C)c(C)c%10c%11cc%12c%13ccccc%13c%13c(C)c(C)c%14c%15ccc%16c%17ccccc%17c1c1c%16c%15c%15c(c21)c1c3c2c4c5c6c3c4c7c8c9c%10c4c4c%11c5c%12c%13c%14c%15c5c1c4c23.

What is the InChIKey of 6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene?

The InChIKey is IBRISTZVOZZCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H46/c1-31-35(5)59-49-27-25-47-39-17-9-13-21-43(39)55-33(3)38(8)62-54-30-52-42-20-12-16-24-46(42)58-32(2)36(6)60-50-28-26-48-40-18-10-14-22-44(40)56-34(4)37(7)61-53-29-51-41-19-11-15-23-45(41)57(31)73-67(51)79-69(53)83-86-78(61)72(56)64(48)66(50)82(86)88-76(60)74(58)68(52)80-70(54)84-85-77(62)71(55)63(47)65(49)81(85)87(75(59)73)89(79)91(84)92(83)90(80)88/h9-30H,1-8H3.

What are the key properties of 6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene?

6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene has a molecular weight of 1151.38 g/mol, XLogP of 26.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene is sourced from PubChem (CID 159123818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).