copper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene

C28H12CuN12 — CID 22836364

IUPACcopper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene
SMILES[Cu+2].c1cc2c(cn1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccncc41)-c1ccncc1-3)c1cnccc21
InChIInChI=1S/C28H12N12.Cu/c1-5-29-9-17-13(1)21-33-22-14-2-6-31-11-19(14)27(35-22)40-28-20-12-32-8-4-16(20)24(39-28)38-26-18-10-30-7-3-15(18)23(37-26)36-25(17)34-21;/h1-12H;/q-2;+2
InChIKeyVHJDNKDQMUHOKI-UHFFFAOYSA-N
MW580.03 g/mol
LogP3.70
Rot. Bonds

About copper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene

copper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene (PubChem CID 22836364) has the molecular formula C28H12CuN12 and a molecular weight of 580.03 g/mol. Its IUPAC name is copper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene.

Molecular Properties

Compound Namecopper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene
PubChem CID22836364
Molecular FormulaC28H12CuN12
Molecular Weight580.03 g/mol
Exact Mass579.06
IUPAC Namecopper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene
SMILES[Cu+2].c1cc2c(cn1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccncc41)-c1ccncc1-3)c1cnccc21
InChIInChI=1S/C28H12N12.Cu/c1-5-29-9-17-13(1)21-33-22-14-2-6-31-11-19(14)27(35-22)40-28-20-12-32-8-4-16(20)24(39-28)38-26-18-10-30-7-3-15(18)23(37-26)36-25(17)34-21;/h1-12H;/q-2;+2
InChIKeyVHJDNKDQMUHOKI-UHFFFAOYSA-N
XLogP3.70
TPSA157.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.03
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze copper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene?
The IUPAC name of copper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene (CID 22836364) is copper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene.
What is the SMILES notation for copper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene?
The canonical SMILES for copper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene is [Cu+2].c1cc2c(cn1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccncc41)-c1ccncc1-3)c1cnccc21.
What is the InChIKey of copper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene?
The InChIKey is VHJDNKDQMUHOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H12N12.Cu/c1-5-29-9-17-13(1)21-33-22-14-2-6-31-11-19(14)27(35-22)40-28-20-12-32-8-4-16(20)24(39-28)38-26-18-10-30-7-3-15(18)23(37-26)36-25(17)34-21;/h1-12H;/q-2;+2.
What are the key properties of copper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene?
copper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene has a molecular weight of 580.03 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2,6,11,15,20,24,29,34,38,40-decaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene is sourced from PubChem (CID 22836364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).