zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene

C56H27F37N8Zn — CID 147109135

About zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene

zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene (PubChem CID 147109135) has the molecular formula C56H27F37N8Zn and a molecular weight of 1580.20 g/mol. Its IUPAC name is zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene.

Molecular Properties

• Compound Name: zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene
• PubChem CID: 147109135
• Molecular Formula: C56H27F37N8Zn
• Molecular Weight: 1580.20 g/mol
• Exact Mass: 1578.11
• IUPAC Name: zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene
• SMILES: CC(C)(F)c1c(F)c2c(c(F)c1[C@](C)(F)C(F)(F)F)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(F)c([C@](C)(F)C(F)(F)F)c([C@](C)(F)C(F)(F)F)c(F)c41)-c1c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c([C@@](C)(F)C(F)(F)F)c(F)c1-3)c1c(F)c([C@@](C)(F)C(F)(F)F)c(C(C)(C)F)c(F)c21.[Zn+2]
• InChI: InChI=1S/C56H27F37N8.Zn/c1-42(2,65)18-20(44(5,67)50(73,74)75)28(59)12-10(26(18)57)34-94-35-11-13(29(60)21(45(6,68)51(76,77)78)19(27(11)58)43(3,4)66)37(96-35)98-40-16-17(33(64)25(49(72,55(88,89)90)56(91,92)93)24(32(16)63)48(9,71)54(85,86)87)41(101-40)100-39-15-14(38(99-39)97-36(12)95-34)30(61)22(46(7,69)52(79,80)81)23(31(15)62)47(8,70)53(82,83)84;/h1-9H3;/q-2;+2/t44-,45+,46-,47-,48+;/m0./s1
• InChIKey: BMDRUIXPEUYHDA-JGYMZLMPSA-N
• XLogP: 20.67
• TPSA: 105.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1580.20
LogP ≤ 5	20.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene?

The IUPAC name of zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene (CID 147109135) is zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene.

What is the SMILES notation for zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene?

The canonical SMILES for zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene is CC(C)(F)c1c(F)c2c(c(F)c1[C@](C)(F)C(F)(F)F)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(F)c([C@](C)(F)C(F)(F)F)c([C@](C)(F)C(F)(F)F)c(F)c41)-c1c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c([C@@](C)(F)C(F)(F)F)c(F)c1-3)c1c(F)c([C@@](C)(F)C(F)(F)F)c(C(C)(C)F)c(F)c21.[Zn+2].

What is the InChIKey of zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene?

The InChIKey is BMDRUIXPEUYHDA-JGYMZLMPSA-N. The full InChI is InChI=1S/C56H27F37N8.Zn/c1-42(2,65)18-20(44(5,67)50(73,74)75)28(59)12-10(26(18)57)34-94-35-11-13(29(60)21(45(6,68)51(76,77)78)19(27(11)58)43(3,4)66)37(96-35)98-40-16-17(33(64)25(49(72,55(88,89)90)56(91,92)93)24(32(16)63)48(9,71)54(85,86)87)41(101-40)100-39-15-14(38(99-39)97-36(12)95-34)30(61)22(46(7,69)52(79,80)81)23(31(15)62)47(8,70)53(82,83)84;/h1-9H3;/q-2;+2/t44-,45+,46-,47-,48+;/m0./s1.

What are the key properties of zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene?

zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene has a molecular weight of 1580.20 g/mol, XLogP of 20.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for zinc 5,8,14,17,23,26,32,35-octafluoro-6,34-bis(2-fluoropropan-2-yl)-16-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-7,15-bis[(2R)-1,1,1,2-tetrafluoropropan-2-yl]-24,25,33-tris[(2S)-1,1,1,2-tetrafluoropropan-2-yl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene is sourced from PubChem (CID 147109135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).