copper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene

C32H20CuN8 — CID 58880776

IUPACcopper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene
SMILESC1=CC2/C3=N/C4N=C(/N=c5\[n-]/c(c6ccccc56)=N\C5=N/C(=N\C([N-]3)C2C=C1)c1ccccc15)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;/h1-18,25,28H;/q-2;+2
InChIKeyOXFNUBRVXMUBGF-UHFFFAOYSA-N
MW580.11 g/mol
LogP4.18
Rot. Bonds

About copper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene

copper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene (PubChem CID 58880776) has the molecular formula C32H20CuN8 and a molecular weight of 580.11 g/mol. Its IUPAC name is copper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene.

Molecular Properties

Compound Namecopper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene
PubChem CID58880776
Molecular FormulaC32H20CuN8
Molecular Weight580.11 g/mol
Exact Mass579.11
IUPAC Namecopper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene
SMILESC1=CC2/C3=N/C4N=C(/N=c5\[n-]/c(c6ccccc56)=N\C5=N/C(=N\C([N-]3)C2C=C1)c1ccccc15)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;/h1-18,25,28H;/q-2;+2
InChIKeyOXFNUBRVXMUBGF-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze copper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene?
The IUPAC name of copper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene (CID 58880776) is copper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene.
What is the SMILES notation for copper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene?
The canonical SMILES for copper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene is C1=CC2/C3=N/C4N=C(/N=c5\[n-]/c(c6ccccc56)=N\C5=N/C(=N\C([N-]3)C2C=C1)c1ccccc15)c1ccccc14.[Cu+2].
What is the InChIKey of copper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene?
The InChIKey is OXFNUBRVXMUBGF-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;/h1-18,25,28H;/q-2;+2.
What are the key properties of copper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene?
copper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene has a molecular weight of 580.11 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper (19Z,28Z)-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),13,15,17,19,23,25,28,31,33,35-heptadecaene is sourced from PubChem (CID 58880776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).