copper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene

C32H16CuN8-4 — CID 54609463

IUPACcopper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene
SMILES[Cu].c1ccc2c3[n-]c(c2c1)/N=c1\[n-]/c(c2ccccc12)=N\c1[n-]c(c2ccccc12)/N=c1\[n-]/c(c2ccccc12)=N\3
InChIInChI=1S/C32H16N8.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;/h1-16H;/q-4;
InChIKeyRBTKNAXYKSUFRK-UHFFFAOYSA-N
MW576.08 g/mol
LogP4.24
Rot. Bonds

About copper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene

copper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene (PubChem CID 54609463) has the molecular formula C32H16CuN8-4 and a molecular weight of 576.08 g/mol. Its IUPAC name is copper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene.

Molecular Properties

Compound Namecopper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene
PubChem CID54609463
Molecular FormulaC32H16CuN8-4
Molecular Weight576.08 g/mol
Exact Mass575.08
IUPAC Namecopper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene
SMILES[Cu].c1ccc2c3[n-]c(c2c1)/N=c1\[n-]/c(c2ccccc12)=N\c1[n-]c(c2ccccc12)/N=c1\[n-]/c(c2ccccc12)=N\3
InChIInChI=1S/C32H16N8.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;/h1-16H;/q-4;
InChIKeyRBTKNAXYKSUFRK-UHFFFAOYSA-N
XLogP4.24
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.08
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze copper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene?
The IUPAC name of copper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene (CID 54609463) is copper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene.
What is the SMILES notation for copper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene?
The canonical SMILES for copper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene is [Cu].c1ccc2c3[n-]c(c2c1)/N=c1\[n-]/c(c2ccccc12)=N\c1[n-]c(c2ccccc12)/N=c1\[n-]/c(c2ccccc12)=N\3.
What is the InChIKey of copper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene?
The InChIKey is RBTKNAXYKSUFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16N8.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;/h1-16H;/q-4;.
What are the key properties of copper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene?
copper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene has a molecular weight of 576.08 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(1Z,11Z,19Z,29Z)-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-octadecaene is sourced from PubChem (CID 54609463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).