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

C42H54AgCuN8+3 — CID 6394770

IUPACcopper;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
SMILESC1=N\CCCN2CCC/N=C\c3ccc(cc3)/C=N/CCCN(CCC/N=C\c3ccc(cc3)/C=N/CCC2)CCC/N=C/c2ccc/1cc2.[Ag+].[Cu+2]
InChIInChI=1S/C42H54N8.Ag.Cu/c1-19-43-31-37-7-9-38(10-8-37)34-46-22-4-28-50-29-5-23-47-35-41-15-11-39(12-16-41)32-44-20-2-26-49(25-1)27-3-21-45-33-40-13-17-42(18-14-40)36-48-24-6-30-50;;/h7-18,31-36H,1-6,19-30H2;;/q;+1;+2/b43-31-,44-32-,45-33+,46-34+,47-35+,48-36-;;
InChIKeyNPOQJZBJABMVOE-NVYCBXAXSA-N
MW842.36 g/mol
LogP6.57
Rot. Bonds

About 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

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 (PubChem CID 6394770) has the molecular formula C42H54AgCuN8+3 and a molecular weight of 842.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecopper;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
PubChem CID6394770
Molecular FormulaC42H54AgCuN8+3
Molecular Weight842.36 g/mol
Exact Mass840.28
IUPAC Namecopper;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
SMILESC1=N\CCCN2CCC/N=C\c3ccc(cc3)/C=N/CCCN(CCC/N=C\c3ccc(cc3)/C=N/CCC2)CCC/N=C/c2ccc/1cc2.[Ag+].[Cu+2]
InChIInChI=1S/C42H54N8.Ag.Cu/c1-19-43-31-37-7-9-38(10-8-37)34-46-22-4-28-50-29-5-23-47-35-41-15-11-39(12-16-41)32-44-20-2-26-49(25-1)27-3-21-45-33-40-13-17-42(18-14-40)36-48-24-6-30-50;;/h7-18,31-36H,1-6,19-30H2;;/q;+1;+2/b43-31-,44-32-,45-33+,46-34+,47-35+,48-36-;;
InChIKeyNPOQJZBJABMVOE-NVYCBXAXSA-N
XLogP6.57
TPSA80.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.36
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 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

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
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
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
1-chloro-5,6-dihydro-4H-pyrimidine
CID 139950767
3,7,20,24,35,38,39,42-octazaheptacyclo[24.8.4.49,18.029,37.032,36.012,41.015,40]dotetraconta-1(35),2,7,9(42),10,12(41),13,15(40),16,18(39),19,24,26(38),27,29(37),30,32(36),33-octadecaene
CID 14893833
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
3,10,21,28-tetramethyl-3,10,14,17,21,28,32,35,38,41,44,47-dodecazatricyclo[28.6.6.612,19]octatetraconta-1,11,13,17,19,29,31,35,37,41,43,47-dodecaene
CID 102187607
10,22-dibromo-3,6-dimethyl-3,6,14,18-tetrazatricyclo[18.3.1.18,12]pentacosa-1(24),8(25),9,11,13,18,20,22-octaene-24,25-diol
CID 136881961
5-piperidin-1-yl-3,4-dihydroisoquinoline
CID 121348828
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
5,16-dibromo-1,9,12,20-tetrazatetracyclo[18.2.2.13,7.114,18]hexacosa-3(26),4,6,8,12,14,16,18(25)-octaene-25,26-diol
CID 136717154
cyclooctane;1,7-diazabicyclo[5.5.3]pentadecane;methane
CID 162186921

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=N\CCCN2CCC/N=C\c3ccc(cc3)/C=N/CCCN(CCC/N=C\c3ccc(cc3)/C=N/CCC2)CCC/N=C/c2ccc/1cc2.[Ag+].[Cu+2].
What is the InChIKey of 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?
The InChIKey is NPOQJZBJABMVOE-NVYCBXAXSA-N. The full InChI is InChI=1S/C42H54N8.Ag.Cu/c1-19-43-31-37-7-9-38(10-8-37)34-46-22-4-28-50-29-5-23-47-35-41-15-11-39(12-16-41)32-44-20-2-26-49(25-1)27-3-21-45-33-40-13-17-42(18-14-40)36-48-24-6-30-50;;/h7-18,31-36H,1-6,19-30H2;;/q;+1;+2/b43-31-,44-32-,45-33+,46-34+,47-35+,48-36-;;.
What are the key properties of 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?
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 has a molecular weight of 842.36 g/mol, XLogP of 6.57, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 6394770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).