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-5,6-disulfonate;rhodium(2+)

C32H16N8O6RhS2 — CID 135839400

About 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-5,6-disulfonate;rhodium(2+)

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-5,6-disulfonate;rhodium(2+) (PubChem CID 135839400) has the molecular formula C32H16N8O6RhS2 and a molecular weight of 775.57 g/mol. Its IUPAC name is 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-5,6-disulfonate;rhodium(2+).

Molecular Properties

• Compound Name: 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-5,6-disulfonate;rhodium(2+)
• PubChem CID: 135839400
• Molecular Formula: C32H16N8O6RhS2
• Molecular Weight: 775.57 g/mol
• Exact Mass: 774.97
• IUPAC Name: 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-5,6-disulfonate;rhodium(2+)
• SMILES: O=S(=O)([O-])c1ccc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1S(=O)(=O)[O-])-c1ccccc1-6)c1ccccc51)-c1ccccc1-4.[Rh+2]
• InChI: InChI=1S/C32H18N8O6S2.Rh/c41-47(42,43)22-14-13-21-23(24(22)48(44,45)46)32-39-30-20-12-6-5-11-19(20)28(37-30)35-26-16-8-2-1-7-15(16)25(33-26)34-27-17-9-3-4-10-18(17)29(36-27)38-31(21)40-32;/h1-14H,(H,41,42,43)(H,44,45,46)(H2,33,34,35,36,37,38,39,40);/q;+2/p-2
• InChIKey: FIMQUEWZQUYXNQ-UHFFFAOYSA-L
• XLogP: 4.67
• TPSA: 223.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 2
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.57
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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-5,6-disulfonate;rhodium(2+)?

The IUPAC name of 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-5,6-disulfonate;rhodium(2+) (CID 135839400) is 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-5,6-disulfonate;rhodium(2+).

What is the SMILES notation for 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-5,6-disulfonate;rhodium(2+)?

The canonical SMILES for 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-5,6-disulfonate;rhodium(2+) is O=S(=O)([O-])c1ccc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1S(=O)(=O)[O-])-c1ccccc1-6)c1ccccc51)-c1ccccc1-4.[Rh+2].

What is the InChIKey of 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-5,6-disulfonate;rhodium(2+)?

The InChIKey is FIMQUEWZQUYXNQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H18N8O6S2.Rh/c41-47(42,43)22-14-13-21-23(24(22)48(44,45)46)32-39-30-20-12-6-5-11-19(20)28(37-30)35-26-16-8-2-1-7-15(16)25(33-26)34-27-17-9-3-4-10-18(17)29(36-27)38-31(21)40-32;/h1-14H,(H,41,42,43)(H,44,45,46)(H2,33,34,35,36,37,38,39,40);/q;+2/p-2.

What are the key properties of 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-5,6-disulfonate;rhodium(2+)?

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-5,6-disulfonate;rhodium(2+) has a molecular weight of 775.57 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 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-5,6-disulfonate;rhodium(2+) is sourced from PubChem (CID 135839400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).