5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

C32H26N12+4 — CID 135471139

About 5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (PubChem CID 135471139) has the molecular formula C32H26N12+4 and a molecular weight of 578.64 g/mol. Its IUPAC name is 5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.

Molecular Properties

• Compound Name: 5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• PubChem CID: 135471139
• Molecular Formula: C32H26N12+4
• Molecular Weight: 578.64 g/mol
• Exact Mass: 578.24
• IUPAC Name: 5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
• SMILES: C[n+]1cccc2c1-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccc[n+](C)c41)-c1ccc[n+](C)c1-3)c1ccc[n+](C)c21
• InChI: InChI=1S/C32H25N12/c1-41-13-5-9-17-21(41)29-33-25(17)38-30-23-19(11-7-15-43(23)3)27(35-30)40-32-24-20(12-8-16-44(24)4)28(36-32)39-31-22-18(26(34-31)37-29)10-6-14-42(22)2/h5-16H,1-4H3,(H,33,34,35,36,37,38,39,40)/q+3/p+1
• InChIKey: SDUGLZIRFFJCJB-UHFFFAOYSA-O
• XLogP: 2.17
• TPSA: 124.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.64
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The IUPAC name of 5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene (CID 135471139) is 5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene.

What is the SMILES notation for 5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The canonical SMILES for 5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is C[n+]1cccc2c1-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccc[n+](C)c41)-c1ccc[n+](C)c1-3)c1ccc[n+](C)c21.

What is the InChIKey of 5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

The InChIKey is SDUGLZIRFFJCJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H25N12/c1-41-13-5-9-17-21(41)29-33-25(17)38-30-23-19(11-7-15-43(23)3)27(35-30)40-32-24-20(12-8-16-44(24)4)28(36-32)39-31-22-18(26(34-31)37-29)10-6-14-42(22)2/h5-16H,1-4H3,(H,33,34,35,36,37,38,39,40)/q+3/p+1.

What are the key properties of 5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene?

5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene has a molecular weight of 578.64 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,14,23,32-tetramethyl-2,11,20,29,37,38,39,40-octaza-5,14,23,32-tetrazonianonacyclo[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(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene is sourced from PubChem (CID 135471139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).