60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone

C102H30F42N6O12 — CID 132597552

IUPAC60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone
SMILESO=c1c2ccc3c4ccc5c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c6cc7c(c4c56)c4c(cc(c(=O)n1CC(F)(F)C(F)(F)C(F)(F)F)c2c34)c1c2c3cc4c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c5ccc6c8ccc9c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c%10cc(c(c8c9%10)c3c6c54)c2c2c3cc4c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c5ccc6c8ccc9c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c%10cc(c(c8c9%10)c3c6c54)c2c71
InChIInChI=1S/C102H30F42N6O12/c103-85(104,91(115,116)97(127,128)129)19-145-73(151)31-7-1-25-26-2-8-32-50-44(80(158)146(74(32)152)20-86(105,106)92(117,118)98(130,131)132)14-38-62(56(26)50)61-37(13-43(79(145)157)49(31)55(25)61)67-68(38)70-40-16-46-52-34(76(154)148(82(46)160)22-88(109,110)94(121,122)100(136,137)138)11-5-29-30-6-12-36-54-48(84(162)150(78(36)156)24-90(113,114)96(125,126)102(142,143)144)18-42(66(60(30)54)64(40)58(29)52)72(70)71-41-17-47-53-35(77(155)149(83(47)161)23-89(111,112)95(123,124)101(139,140)141)10-4-28-27-3-9-33-51-45(15-39(69(67)71)63(57(27)51)65(41)59(28)53)81(159)147(75(33)153)21-87(107,108)93(119,120)99(133,134)135/h1-18H,19-24H2
InChIKeyOQWCBYSSPMUOCI-UHFFFAOYSA-N
MW2329.31 g/mol
LogP24.75
Rot. Bonds18

About 60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone

60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone (PubChem CID 132597552) has the molecular formula C102H30F42N6O12 and a molecular weight of 2329.31 g/mol. Its IUPAC name is 60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone.

Molecular Properties

Compound Name60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone
PubChem CID132597552
Molecular FormulaC102H30F42N6O12
Molecular Weight2329.31 g/mol
Exact Mass2328.13
IUPAC Name60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone
SMILESO=c1c2ccc3c4ccc5c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c6cc7c(c4c56)c4c(cc(c(=O)n1CC(F)(F)C(F)(F)C(F)(F)F)c2c34)c1c2c3cc4c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c5ccc6c8ccc9c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c%10cc(c(c8c9%10)c3c6c54)c2c2c3cc4c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c5ccc6c8ccc9c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c%10cc(c(c8c9%10)c3c6c54)c2c71
InChIInChI=1S/C102H30F42N6O12/c103-85(104,91(115,116)97(127,128)129)19-145-73(151)31-7-1-25-26-2-8-32-50-44(80(158)146(74(32)152)20-86(105,106)92(117,118)98(130,131)132)14-38-62(56(26)50)61-37(13-43(79(145)157)49(31)55(25)61)67-68(38)70-40-16-46-52-34(76(154)148(82(46)160)22-88(109,110)94(121,122)100(136,137)138)11-5-29-30-6-12-36-54-48(84(162)150(78(36)156)24-90(113,114)96(125,126)102(142,143)144)18-42(66(60(30)54)64(40)58(29)52)72(70)71-41-17-47-53-35(77(155)149(83(47)161)23-89(111,112)95(123,124)101(139,140)141)10-4-28-27-3-9-33-51-45(15-39(69(67)71)63(57(27)51)65(41)59(28)53)81(159)147(75(33)153)21-87(107,108)93(119,120)99(133,134)135/h1-18H,19-24H2
InChIKeyOQWCBYSSPMUOCI-UHFFFAOYSA-N
XLogP24.75
TPSA234.42 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002329.31
LogP ≤ 524.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone?
The IUPAC name of 60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone (CID 132597552) is 60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone.
What is the SMILES notation for 60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone?
The canonical SMILES for 60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone is O=c1c2ccc3c4ccc5c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c6cc7c(c4c56)c4c(cc(c(=O)n1CC(F)(F)C(F)(F)C(F)(F)F)c2c34)c1c2c3cc4c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c5ccc6c8ccc9c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c%10cc(c(c8c9%10)c3c6c54)c2c2c3cc4c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c5ccc6c8ccc9c(=O)n(CC(F)(F)C(F)(F)C(F)(F)F)c(=O)c%10cc(c(c8c9%10)c3c6c54)c2c71.
What is the InChIKey of 60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone?
The InChIKey is OQWCBYSSPMUOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H30F42N6O12/c103-85(104,91(115,116)97(127,128)129)19-145-73(151)31-7-1-25-26-2-8-32-50-44(80(158)146(74(32)152)20-86(105,106)92(117,118)98(130,131)132)14-38-62(56(26)50)61-37(13-43(79(145)157)49(31)55(25)61)67-68(38)70-40-16-46-52-34(76(154)148(82(46)160)22-88(109,110)94(121,122)100(136,137)138)11-5-29-30-6-12-36-54-48(84(162)150(78(36)156)24-90(113,114)96(125,126)102(142,143)144)18-42(66(60(30)54)64(40)58(29)52)72(70)71-41-17-47-53-35(77(155)149(83(47)161)23-89(111,112)95(123,124)101(139,140)141)10-4-28-27-3-9-33-51-45(15-39(69(67)71)63(57(27)51)65(41)59(28)53)81(159)147(75(33)153)21-87(107,108)93(119,120)99(133,134)135/h1-18H,19-24H2.
What are the key properties of 60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone?
60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone has a molecular weight of 2329.31 g/mol, XLogP of 24.75, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 60,66,70,76,80,83-hexakis(2,2,3,3,4,4,4-heptafluorobutyl)-60,66,70,76,80,83-hexazapentacosacyclo[45.7.3.34,6.313,15.314,26.322,24.331,33.332,44.340,42.349,51.119,23.137,41.154,57.05,55.08,56.09,46.010,27.028,45.011,73.018,74.029,63.036,64.050,58.062,68.072,78]tetraoctaconta-1(54),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,55,57,62(68),63,72(78),73-tritriacontaene-59,61,65,67,69,71,75,77,79,81,82,84-dodecone is sourced from PubChem (CID 132597552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).