gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

C32H14AuCl4N8+ — CID 135623133

About gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene (PubChem CID 135623133) has the molecular formula C32H14AuCl4N8+ and a molecular weight of 849.30 g/mol. Its IUPAC name is gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene.

Molecular Properties

• Compound Name: gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
• PubChem CID: 135623133
• Molecular Formula: C32H14AuCl4N8+
• Molecular Weight: 849.30 g/mol
• Exact Mass: 846.98
• IUPAC Name: gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
• SMILES: Clc1c(Cl)c(Cl)c2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1Cl)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4.[Au+]
• InChI: InChI=1S/C32H14Cl4N8.Au/c33-21-19-20(22(34)24(36)23(21)35)32-43-30-18-12-6-4-10-16(18)28(41-30)39-26-14-8-2-1-7-13(14)25(37-26)38-27-15-9-3-5-11-17(15)29(40-27)42-31(19)44-32;/h1-12H,(H2,37,38,39,40,41,42,43,44);/q;+1
• InChIKey: PPVBLNGLKYQOQO-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.30
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?

The IUPAC name of gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene (CID 135623133) is gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene.

What is the SMILES notation for gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?

The canonical SMILES for gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene is Clc1c(Cl)c(Cl)c2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1Cl)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4.[Au+].

What is the InChIKey of gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?

The InChIKey is PPVBLNGLKYQOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H14Cl4N8.Au/c33-21-19-20(22(34)24(36)23(21)35)32-43-30-18-12-6-4-10-16(18)28(41-30)39-26-14-8-2-1-7-13(14)25(37-26)38-27-15-9-3-5-11-17(15)29(40-27)42-31(19)44-32;/h1-12H,(H2,37,38,39,40,41,42,43,44);/q;+1.

What are the key properties of gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?

gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene has a molecular weight of 849.30 g/mol, XLogP of 9.48, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for gold(1+);5,6,7,8-tetrachloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene is sourced from PubChem (CID 135623133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).