copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride

C32H19ClCuN8 — CID 138394853

IUPACcopper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride
SMILESC1=CC2c3nc4nc(nc5[n-]c(nc6[nH]c(nc(n3)C2C=C1)c1ccccc61)c1ccccc51)-c1ccccc1-4.[Cl-].[Cu+2]
InChIInChI=1S/C32H19N8.ClH.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;;/h1-18H,(H-,33,34,35,36,37,38,39,40);1H;/q-1;;+2/p-1
InChIKeyUODKSNQRYKJFKC-UHFFFAOYSA-M
MW614.56 g/mol
LogP3.16
Rot. Bonds

About copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride

copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride (PubChem CID 138394853) has the molecular formula C32H19ClCuN8 and a molecular weight of 614.56 g/mol. Its IUPAC name is copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride.

Molecular Properties

Compound Namecopper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride
PubChem CID138394853
Molecular FormulaC32H19ClCuN8
Molecular Weight614.56 g/mol
Exact Mass613.07
IUPAC Namecopper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride
SMILESC1=CC2c3nc4nc(nc5[n-]c(nc6[nH]c(nc(n3)C2C=C1)c1ccccc61)c1ccccc51)-c1ccccc1-4.[Cl-].[Cu+2]
InChIInChI=1S/C32H19N8.ClH.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;;/h1-18H,(H-,33,34,35,36,37,38,39,40);1H;/q-1;;+2/p-1
InChIKeyUODKSNQRYKJFKC-UHFFFAOYSA-M
XLogP3.16
TPSA107.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.56
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride?
The IUPAC name of copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride (CID 138394853) is copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride.
What is the SMILES notation for copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride?
The canonical SMILES for copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride is C1=CC2c3nc4nc(nc5[n-]c(nc6[nH]c(nc(n3)C2C=C1)c1ccccc61)c1ccccc51)-c1ccccc1-4.[Cl-].[Cu+2].
What is the InChIKey of copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride?
The InChIKey is UODKSNQRYKJFKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H19N8.ClH.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;;/h1-18H,(H-,33,34,35,36,37,38,39,40);1H;/q-1;;+2/p-1.
What are the key properties of copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride?
copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride has a molecular weight of 614.56 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,11,20,29,37,38,40-heptaza-39-azanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,32,34-octadecaene;chloride is sourced from PubChem (CID 138394853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).