copper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene

C32H20CuN8 — CID 59815266

IUPACcopper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene
SMILESC1=CC2=C3/N=C4\N=C(/N=c5\[n-]/c(c6ccccc56)=N\C5=N/C(=N\C([N-]3)C2C=C1)C1C=CC=CC51)c1ccccc14.[Cu+2]
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;/h1-19,27H;/q-2;+2
InChIKeyMWAINBOKMLGOOB-UHFFFAOYSA-N
MW580.11 g/mol
LogP4.09
Rot. Bonds

About copper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene

copper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene (PubChem CID 59815266) has the molecular formula C32H20CuN8 and a molecular weight of 580.11 g/mol. Its IUPAC name is copper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene.

Molecular Properties

Compound Namecopper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene
PubChem CID59815266
Molecular FormulaC32H20CuN8
Molecular Weight580.11 g/mol
Exact Mass579.11
IUPAC Namecopper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene
SMILESC1=CC2=C3/N=C4\N=C(/N=c5\[n-]/c(c6ccccc56)=N\C5=N/C(=N\C([N-]3)C2C=C1)C1C=CC=CC51)c1ccccc14.[Cu+2]
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;/h1-19,27H;/q-2;+2
InChIKeyMWAINBOKMLGOOB-UHFFFAOYSA-N
XLogP4.09
TPSA102.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.11
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze copper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene?
The IUPAC name of copper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene (CID 59815266) is copper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene.
What is the SMILES notation for copper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene?
The canonical SMILES for copper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene is C1=CC2=C3/N=C4\N=C(/N=c5\[n-]/c(c6ccccc56)=N\C5=N/C(=N\C([N-]3)C2C=C1)C1C=CC=CC51)c1ccccc14.[Cu+2].
What is the InChIKey of copper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene?
The InChIKey is MWAINBOKMLGOOB-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;/h1-19,27H;/q-2;+2.
What are the key properties of copper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene?
copper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene has a molecular weight of 580.11 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper (19Z,29Z)-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),2,4,6,8,10,12(39),13,15,17,19,21,23,25,29,32,34-heptadecaene is sourced from PubChem (CID 59815266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).