zinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

C84H68N12O12Zn — CID 71762329

IUPACzinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
SMILES[Zn+2].c1cc(OCCOCCOc2cccc3cccnc23)c2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(OCCOCCOc5cccc6cccnc56)cccc41)-c1c(OCCOCCOc4cccc5cccnc45)cccc1-3)c1c(OCCOCCOc3cccc4cccnc34)cccc21
InChIInChI=1S/C84H68N12O12.Zn/c1-13-53-17-9-33-85-73(53)65(29-1)105-49-41-97-37-45-101-61-25-5-21-57-69(61)81-89-77(57)94-82-71-59(23-7-27-63(71)103-47-39-99-43-51-107-67-31-3-15-55-19-11-35-87-75(55)67)79(91-82)96-84-72-60(24-8-28-64(72)104-48-40-100-44-52-108-68-32-4-16-56-20-12-36-88-76(56)68)80(92-84)95-83-70-58(78(90-83)93-81)22-6-26-62(70)102-46-38-98-42-50-106-66-30-2-14-54-18-10-34-86-74(54)66;/h1-36H,37-52H2;/q-2;+2
InChIKeyALZYTQILLBAQIV-UHFFFAOYSA-N
MW1502.93 g/mol
LogP14.22
Rot. Bonds32

About zinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

zinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (PubChem CID 71762329) has the molecular formula C84H68N12O12Zn and a molecular weight of 1502.93 g/mol. Its IUPAC name is zinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.

Molecular Properties

Compound Namezinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
PubChem CID71762329
Molecular FormulaC84H68N12O12Zn
Molecular Weight1502.93 g/mol
Exact Mass1500.44
IUPAC Namezinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
SMILES[Zn+2].c1cc(OCCOCCOc2cccc3cccnc23)c2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(OCCOCCOc5cccc6cccnc56)cccc41)-c1c(OCCOCCOc4cccc5cccnc45)cccc1-3)c1c(OCCOCCOc3cccc4cccnc34)cccc21
InChIInChI=1S/C84H68N12O12.Zn/c1-13-53-17-9-33-85-73(53)65(29-1)105-49-41-97-37-45-101-61-25-5-21-57-69(61)81-89-77(57)94-82-71-59(23-7-27-63(71)103-47-39-99-43-51-107-67-31-3-15-55-19-11-35-87-75(55)67)79(91-82)96-84-72-60(24-8-28-64(72)104-48-40-100-44-52-108-68-32-4-16-56-20-12-36-88-76(56)68)80(92-84)95-83-70-58(78(90-83)93-81)22-6-26-62(70)102-46-38-98-42-50-106-66-30-2-14-54-18-10-34-86-74(54)66;/h1-36H,37-52H2;/q-2;+2
InChIKeyALZYTQILLBAQIV-UHFFFAOYSA-N
XLogP14.22
TPSA267.86 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001502.93
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze zinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene with MolForge

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Related Compounds

zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
CID 72694410
zinc 26-(2-piperidin-1-ylethoxy)-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene
CID 10283595
zinc 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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-5,14,23,32-tetrol
CID 138962557
zinc trimethyl-[3-[[14,23,32-tris[3-(trimethylazaniumyl)phenoxy]-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-nonadecaen-5-yl]oxy]phenyl]azanium
CID 140777485
5,14,23,32-tetrakis(2-methoxyethoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 140753154
8-(3-azidopropoxy)quinoline
CID 61396496
8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline
CID 2283062
8-[2-(2,6-dichlorophenoxy)ethoxy]quinoline
CID 2283916
cobalt;bis(imidazol-3-ide);5,14,26,32-tetrakis(2,4-dimethylpentan-3-yloxy)-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
CID 21301833
8-(6-chlorohexoxy)quinoline
CID 62228191
8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline
CID 2284547
8-(2-azidoethoxy)quinoline
CID 55137163

Frequently Asked Questions

What is the IUPAC name of zinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?
The IUPAC name of zinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (CID 71762329) is zinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.
What is the SMILES notation for zinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?
The canonical SMILES for zinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is [Zn+2].c1cc(OCCOCCOc2cccc3cccnc23)c2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(OCCOCCOc5cccc6cccnc56)cccc41)-c1c(OCCOCCOc4cccc5cccnc45)cccc1-3)c1c(OCCOCCOc3cccc4cccnc34)cccc21.
What is the InChIKey of zinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?
The InChIKey is ALZYTQILLBAQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H68N12O12.Zn/c1-13-53-17-9-33-85-73(53)65(29-1)105-49-41-97-37-45-101-61-25-5-21-57-69(61)81-89-77(57)94-82-71-59(23-7-27-63(71)103-47-39-99-43-51-107-67-31-3-15-55-19-11-35-87-75(55)67)79(91-82)96-84-72-60(24-8-28-64(72)104-48-40-100-44-52-108-68-32-4-16-56-20-12-36-88-76(56)68)80(92-84)95-83-70-58(78(90-83)93-81)22-6-26-62(70)102-46-38-98-42-50-106-66-30-2-14-54-18-10-34-86-74(54)66;/h1-36H,37-52H2;/q-2;+2.
What are the key properties of zinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?
zinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene has a molecular weight of 1502.93 g/mol, XLogP of 14.22, 32 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 5,14,23,32-tetrakis[2-(2-quinolin-8-yloxyethoxy)ethoxy]-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-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is sourced from PubChem (CID 71762329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).