disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate

C42H58Ag2Cl2N8O10 — CID 139155678

IUPACdisilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate
SMILESC1=NCCCN2CCCN=Cc3cccc(c3)/C=N/CCCN(CCC/N=C/c3cccc1c3)CCC/N=C/c1cccc(c1)C=NCCC2.O.O.[Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C42H54N8.2Ag.2ClHO4.2H2O/c1-10-37-28-38(11-1)32-44-17-5-23-50-25-7-19-46-34-40-13-2-12-39(29-40)33-45-18-6-24-49(22-4-16-43-31-37)26-8-20-47-35-41-14-3-15-42(30-41)36-48-21-9-27-50;;;2*2-1(3,4)5;;/h1-3,10-15,28-36H,4-9,16-27H2;;;2*(H,2,3,4,5);2*1H2/q;2*+1;;;;/p-2/b43-31+,44-32?,45-33+,46-34?,47-35+,48-36?;;;;;;
InChIKeyNIBCKGAOINJONS-MOECQPCQSA-L
MW1121.61 g/mol
LogP-4.59
Rot. Bonds

About disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate

disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate (PubChem CID 139155678) has the molecular formula C42H58Ag2Cl2N8O10 and a molecular weight of 1121.61 g/mol. Its IUPAC name is disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate.

Molecular Properties

Compound Namedisilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate
PubChem CID139155678
Molecular FormulaC42H58Ag2Cl2N8O10
Molecular Weight1121.61 g/mol
Exact Mass1118.18
IUPAC Namedisilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate
SMILESC1=NCCCN2CCCN=Cc3cccc(c3)/C=N/CCCN(CCC/N=C/c3cccc1c3)CCC/N=C/c1cccc(c1)C=NCCC2.O.O.[Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C42H54N8.2Ag.2ClHO4.2H2O/c1-10-37-28-38(11-1)32-44-17-5-23-50-25-7-19-46-34-40-13-2-12-39(29-40)33-45-18-6-24-49(22-4-16-43-31-37)26-8-20-47-35-41-14-3-15-42(30-41)36-48-21-9-27-50;;;2*2-1(3,4)5;;/h1-3,10-15,28-36H,4-9,16-27H2;;;2*(H,2,3,4,5);2*1H2/q;2*+1;;;;/p-2/b43-31+,44-32?,45-33+,46-34?,47-35+,48-36?;;;;;;
InChIKeyNIBCKGAOINJONS-MOECQPCQSA-L
XLogP-4.59
TPSA328.12 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.61
LogP ≤ 5-4.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate with MolForge

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

Launch Full Analysis

Related Compounds

copper;silver;1,5,12,16,20,27,34,41-octazapentacyclo[14.14.14.27,10.222,25.236,39]pentaconta-5,7,9,11,20,22(48),23,25(47),26,34,36,38,40,45,49-pentadecaene
CID 6394770
7,23-bis(pyridin-2-ylmethyl)-3,7,11,19,23,27-hexazatricyclo[27.3.1.113,17]tetratriaconta-1(33),2,11,13(34),14,16,18,27,29,31-decaene
CID 102160550
3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene
CID 12068296
(2R,16S)-3,6,9,17,20,23-hexazapentacyclo[23.3.1.111,15.02,6.016,20]triaconta-1(28),9,11(30),12,14,23,25(29),26-octaene
CID 139060986
chloroform;1,4,15,18,21,32,37,48-octazaoctacyclo[16.16.16.26,9.210,13.223,26.227,30.239,42.243,46]dohexaconta-4,6,8,10,12,14,21,23(58),24,26(57),27(56),28,30(55),31,37,39,41,43,45,47,51,53,59,61-tetracosaene
CID 139052681
disilver;tetrakis(4-pyrrolidin-1-ylpyridine);diperchlorate
CID 139201601
6,20,29-tribromo-2,24,25-trioxa-10,13,16,33-tetraza-1-thallapentacyclo[11.11.11.03,8.018,23.026,31]pentatriaconta-3(8),4,6,9,16,18(23),19,21,26(31),27,29,32-dodecaene
CID 16711319
(1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol
CID 122095980
4-chloro-N-(3-iodophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870369
1-chloro-5,6-dihydro-4H-pyrimidine
CID 139950767
(3-pyrrolidin-1-ylphenyl)methanol
CID 7162062
3-(3-piperidin-1-ylphenyl)pyridine
CID 166240155

Frequently Asked Questions

What is the IUPAC name of disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate?
The IUPAC name of disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate (CID 139155678) is disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate.
What is the SMILES notation for disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate?
The canonical SMILES for disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate is C1=NCCCN2CCCN=Cc3cccc(c3)/C=N/CCCN(CCC/N=C/c3cccc1c3)CCC/N=C/c1cccc(c1)C=NCCC2.O.O.[Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate?
The InChIKey is NIBCKGAOINJONS-MOECQPCQSA-L. The full InChI is InChI=1S/C42H54N8.2Ag.2ClHO4.2H2O/c1-10-37-28-38(11-1)32-44-17-5-23-50-25-7-19-46-34-40-13-2-12-39(29-40)33-45-18-6-24-49(22-4-16-43-31-37)26-8-20-47-35-41-14-3-15-42(30-41)36-48-21-9-27-50;;;2*2-1(3,4)5;;/h1-3,10-15,28-36H,4-9,16-27H2;;;2*(H,2,3,4,5);2*1H2/q;2*+1;;;;/p-2/b43-31+,44-32?,45-33+,46-34?,47-35+,48-36?;;;;;;.
What are the key properties of disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate?
disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate has a molecular weight of 1121.61 g/mol, XLogP of -4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;1,5,13,17,21,29,36,44-octazapentacyclo[15.15.15.17,11.123,27.138,42]pentaconta-5,7(50),8,10,12,21,23,25,27(49),28,36,38(48),39,41,43-pentadecaene;diperchlorate;dihydrate is sourced from PubChem (CID 139155678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).