9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene

C73H34F8N4 — CID 167116701

About 9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene

9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene (PubChem CID 167116701) has the molecular formula C73H34F8N4 and a molecular weight of 1119.09 g/mol. Its IUPAC name is 9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene.

Molecular Properties

• Compound Name: 9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene
• PubChem CID: 167116701
• Molecular Formula: C73H34F8N4
• Molecular Weight: 1119.09 g/mol
• Exact Mass: 1118.27
• IUPAC Name: 9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene
• SMILES: FC1(F)c2ccccc2C(F)(F)c2cc3c(cc21)c1c2c4c5c(ncc4n4c6cc7c(cc6c(c6c8c9c(ncc8n3c16)C1c3ccccc3C9c3ccccc31)c24)C(F)(F)c1ccccc1C7(F)F)C1c2ccccc2C12c1ccccc1C52
• InChI: InChI=1S/C73H34F8N4/c74-70(75)41-21-9-12-24-44(41)73(80,81)48-28-50-37(25-45(48)70)55-60-57-51(29-82-65-54-33-15-3-1-13-31(33)53(59(57)65)32-14-2-4-16-34(32)54)84-49-27-47-46(71(76,77)42-22-10-11-23-43(42)72(47,78)79)26-38(49)56(67(60)84)61-58-52(85(50)68(55)61)30-83-66-62(58)63-35-17-5-7-19-39(35)69(63)40-20-8-6-18-36(40)64(66)69/h1-30,53-54,63-64H
• InChIKey: BTAKERBCHDVIFZ-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1119.09
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene?

The IUPAC name of 9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene (CID 167116701) is 9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene.

What is the SMILES notation for 9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene?

The canonical SMILES for 9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene is FC1(F)c2ccccc2C(F)(F)c2cc3c(cc21)c1c2c4c5c(ncc4n4c6cc7c(cc6c(c6c8c9c(ncc8n3c16)C1c3ccccc3C9c3ccccc31)c24)C(F)(F)c1ccccc1C7(F)F)C1c2ccccc2C12c1ccccc1C52.

What is the InChIKey of 9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene?

The InChIKey is BTAKERBCHDVIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H34F8N4/c74-70(75)41-21-9-12-24-44(41)73(80,81)48-28-50-37(25-45(48)70)55-60-57-51(29-82-65-54-33-15-3-1-13-31(33)53(59(57)65)32-14-2-4-16-34(32)54)84-49-27-47-46(71(76,77)42-22-10-11-23-43(42)72(47,78)79)26-38(49)56(67(60)84)61-58-52(85(50)68(55)61)30-83-66-62(58)63-35-17-5-7-19-39(35)69(63)40-20-8-6-18-36(40)64(66)69/h1-30,53-54,63-64H.

What are the key properties of 9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene?

9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene has a molecular weight of 1119.09 g/mol, XLogP of 17.84, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9,16,16,47,47,54,54-octafluoro-20,23,58,61-tetrazadocosacyclo[61.6.6.14,43.15,20.02,62.03,59.06,19.08,17.010,15.021,41.024,40.025,32.026,31.032,39.033,38.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4,6,8(17),10,12,14,18,21,23,26,28,30,33,35,37,40,42(77),43(76),44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene is sourced from PubChem (CID 167116701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).