copper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene

C32H20CuN8-4 — CID 59217260

IUPACcopper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene
SMILES[Cu].c1ccc2c(c1)/C1=N/C3[N-]/C(=N\C4[N-]/C(=N\C5[N-]/C(=N\C2[N-]1)c1ccccc15)c1ccccc14)c1ccccc13
InChIInChI=1S/C32H20N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16,25,28-29,32H;/q-4;
InChIKeyJCOPQYBDWSBJIA-UHFFFAOYSA-N
MW580.11 g/mol
LogP7.33
Rot. Bonds

About copper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene

copper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene (PubChem CID 59217260) has the molecular formula C32H20CuN8-4 and a molecular weight of 580.11 g/mol. Its IUPAC name is copper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene.

Molecular Properties

Compound Namecopper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene
PubChem CID59217260
Molecular FormulaC32H20CuN8-4
Molecular Weight580.11 g/mol
Exact Mass579.11
IUPAC Namecopper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene
SMILES[Cu].c1ccc2c(c1)/C1=N/C3[N-]/C(=N\C4[N-]/C(=N\C5[N-]/C(=N\C2[N-]1)c1ccccc15)c1ccccc14)c1ccccc13
InChIInChI=1S/C32H20N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16,25,28-29,32H;/q-4;
InChIKeyJCOPQYBDWSBJIA-UHFFFAOYSA-N
XLogP7.33
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.11
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze copper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene 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 copper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene?
The IUPAC name of copper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene (CID 59217260) is copper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene.
What is the SMILES notation for copper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene?
The canonical SMILES for copper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene is [Cu].c1ccc2c(c1)/C1=N/C3[N-]/C(=N\C4[N-]/C(=N\C5[N-]/C(=N\C2[N-]1)c1ccccc15)c1ccccc14)c1ccccc13.
What is the InChIKey of copper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene?
The InChIKey is JCOPQYBDWSBJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16,25,28-29,32H;/q-4;.
What are the key properties of copper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene?
copper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene has a molecular weight of 580.11 g/mol, XLogP of 7.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(1Z,10Z,19Z,28Z)-2,11,20,29-tetraza-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,10,13,15,17,19,22,24,26,28,31,33,35-hexadecaene is sourced from PubChem (CID 59217260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).