2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+)

C28H12N12OV — CID 134915690

About 2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+)

2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+) (PubChem CID 134915690) has the molecular formula C28H12N12OV and a molecular weight of 583.43 g/mol. Its IUPAC name is 2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+).

Molecular Properties

• Compound Name: 2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+)
• PubChem CID: 134915690
• Molecular Formula: C28H12N12OV
• Molecular Weight: 583.43 g/mol
• Exact Mass: 583.07
• IUPAC Name: 2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+)
• SMILES: O=[V+2].c1cnc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cccnc41)-c1ncccc1-3)c1cccnc21
• InChI: InChI=1S/C28H12N12.O.V/c1-5-13-17(29-9-1)25-35-21(13)33-22-14-6-2-10-30-18(14)27(36-22)40-28-20-16(8-4-12-32-20)24(38-28)34-23-15-7-3-11-31-19(15)26(37-23)39-25;;/h1-12H;;/q-2;;+2
• InChIKey: NOAAPYVDVDIMRE-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 174.17 Ų
• H-Bond Acceptors: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.43
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+)?

The IUPAC name of 2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+) (CID 134915690) is 2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+).

What is the SMILES notation for 2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+)?

The canonical SMILES for 2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+) is O=[V+2].c1cnc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cccnc41)-c1ncccc1-3)c1cccnc21.

What is the InChIKey of 2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+)?

The InChIKey is NOAAPYVDVDIMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H12N12.O.V/c1-5-13-17(29-9-1)25-35-21(13)33-22-14-6-2-10-30-18(14)27(36-22)40-28-20-16(8-4-12-32-20)24(38-28)34-23-15-7-3-11-31-19(15)26(37-23)39-25;;/h1-12H;;/q-2;;+2.

What are the key properties of 2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+)?

2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+) has a molecular weight of 583.43 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5,11,17,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[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;oxovanadium(2+) is sourced from PubChem (CID 134915690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).