copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride

C32H36Cl4CuN8-4 — CID 156596268

IUPACcopper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Cu].c1ccc2c(c1)C1[N-]C2[NH+]=C2[N-]C([NH+]=c3[n-]c(c4ccccc34)=[NH+]C3[N-]C(=[NH+]1)C1CCCCC31)C1CCCCC21
InChIInChI=1S/C32H32N8.4ClH.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;;;;;/h1-2,7-10,15-16,19-22,25-26,29-30H,3-6,11-14H2;4*1H;/q-4;;;;;
InChIKeyTXHFVLBJTVVMED-UHFFFAOYSA-N
MW738.05 g/mol
LogP-13.69
Rot. Bonds

About copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride

copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride (PubChem CID 156596268) has the molecular formula C32H36Cl4CuN8-4 and a molecular weight of 738.05 g/mol. Its IUPAC name is copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride.

Molecular Properties

Compound Namecopper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride
PubChem CID156596268
Molecular FormulaC32H36Cl4CuN8-4
Molecular Weight738.05 g/mol
Exact Mass735.11
IUPAC Namecopper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Cu].c1ccc2c(c1)C1[N-]C2[NH+]=C2[N-]C([NH+]=c3[n-]c(c4ccccc34)=[NH+]C3[N-]C(=[NH+]1)C1CCCCC31)C1CCCCC21
InChIInChI=1S/C32H32N8.4ClH.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;;;;;/h1-2,7-10,15-16,19-22,25-26,29-30H,3-6,11-14H2;4*1H;/q-4;;;;;
InChIKeyTXHFVLBJTVVMED-UHFFFAOYSA-N
XLogP-13.69
TPSA112.28 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500738.05
LogP ≤ 5-13.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Analyze copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride with MolForge

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CID 60044147
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CID 67476613
CID 67476613

Frequently Asked Questions

What is the IUPAC name of copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride?
The IUPAC name of copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride (CID 156596268) is copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride.
What is the SMILES notation for copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride?
The canonical SMILES for copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride is [Cl-].[Cl-].[Cl-].[Cl-].[Cu].c1ccc2c(c1)C1[N-]C2[NH+]=C2[N-]C([NH+]=c3[n-]c(c4ccccc34)=[NH+]C3[N-]C(=[NH+]1)C1CCCCC31)C1CCCCC21.
What is the InChIKey of copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride?
The InChIKey is TXHFVLBJTVVMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N8.4ClH.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;;;;;/h1-2,7-10,15-16,19-22,25-26,29-30H,3-6,11-14H2;4*1H;/q-4;;;;;.
What are the key properties of copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride?
copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride has a molecular weight of 738.05 g/mol, XLogP of -13.69, 0 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride is sourced from PubChem (CID 156596268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).