31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene

C73H34F8N4 — CID 167116698

About 31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene

31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene (PubChem CID 167116698) has the molecular formula C73H34F8N4 and a molecular weight of 1119.09 g/mol. Its IUPAC name is 31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene.

Molecular Properties

• Compound Name: 31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene
• PubChem CID: 167116698
• Molecular Formula: C73H34F8N4
• Molecular Weight: 1119.09 g/mol
• Exact Mass: 1118.27
• IUPAC Name: 31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene
• SMILES: FC1(F)c2ccccc2C(F)(F)c2cc3c(cc21)c1c2c4cc5c(cc4n4c6cnc7c(c6c(c6c8c9c(ncc8n3c16)C1c3ccccc3C9c3ccccc31)c24)C1c2ccccc2C12c1ccccc1C72)C(F)(F)c1ccccc1C5(F)F
• InChI: InChI=1S/C73H34F8N4/c74-70(75)41-21-9-11-23-43(41)72(78,79)47-27-49-37(25-45(47)70)55-56-38-26-46-48(73(80,81)44-24-12-10-22-42(44)71(46,76)77)28-50(38)85-52-30-83-66-62(63-35-17-5-7-19-39(35)69(63)40-20-8-6-18-36(40)64(66)69)58(52)61(68(56)85)60-57-51(84(49)67(55)60)29-82-65-54-33-15-3-1-13-31(33)53(59(57)65)32-14-2-4-16-34(32)54/h1-30,53-54,63-64H
• InChIKey: NEMSFBMDVVHBRQ-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 31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene?

The IUPAC name of 31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene (CID 167116698) is 31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene.

What is the SMILES notation for 31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene?

The canonical SMILES for 31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene is FC1(F)c2ccccc2C(F)(F)c2cc3c(cc21)c1c2c4cc5c(cc4n4c6cnc7c(c6c(c6c8c9c(ncc8n3c16)C1c3ccccc3C9c3ccccc31)c24)C1c2ccccc2C12c1ccccc1C72)C(F)(F)c1ccccc1C5(F)F.

What is the InChIKey of 31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene?

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

What are the key properties of 31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene?

31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(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 31,31,38,38,47,47,54,54-octafluoro-24,27,58,61-tetrazadocosacyclo[61.6.6.14,43.15,27.02,62.03,59.06,26.07,23.08,15.09,14.015,22.016,21.028,41.030,39.032,37.044,57.046,55.048,53.064,69.070,75.042,77.058,76]heptaheptaconta-2,4(76),5(77),6,9,11,13,16,18,20,23,25,28,30(39),32,34,36,40,42,44,46(55),48,50,52,56,59,61,64,66,68,70,72,74-tritriacontaene is sourced from PubChem (CID 167116698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).