carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione

C42H24CuN9O2-3 — CID 20692375

About carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione

carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione (PubChem CID 20692375) has the molecular formula C42H24CuN9O2-3 and a molecular weight of 750.26 g/mol. Its IUPAC name is carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione
• PubChem CID: 20692375
• Molecular Formula: C42H24CuN9O2-3
• Molecular Weight: 750.26 g/mol
• Exact Mass: 749.14
• IUPAC Name: carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione
• SMILES: O=C1c2ccccc2C(=O)N1Cc1ccc2c3nc4nc(nc5[n-]c(nc6nc(nc([n-]3)c2c1)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4.[CH3-].[Cu]
• InChI: InChI=1S/C41H21N9O2.CH3.Cu/c51-40-29-15-7-8-16-30(29)41(52)50(40)20-21-17-18-28-31(19-21)39-48-37-27-14-6-5-13-26(27)35(46-37)44-33-23-10-2-1-9-22(23)32(42-33)43-34-24-11-3-4-12-25(24)36(45-34)47-38(28)49-39;;/h1-19H,20H2;1H3;/q-2;-1
• InChIKey: IMSFTQJULVAVHI-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 142.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.26
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione?

The IUPAC name of carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione (CID 20692375) is carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione.

What is the SMILES notation for carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione?

The canonical SMILES for carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc2c3nc4nc(nc5[n-]c(nc6nc(nc([n-]3)c2c1)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4.[CH3-].[Cu].

What is the InChIKey of carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione?

The InChIKey is IMSFTQJULVAVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H21N9O2.CH3.Cu/c51-40-29-15-7-8-16-30(29)41(52)50(40)20-21-17-18-28-31(19-21)39-48-37-27-14-6-5-13-26(27)35(46-37)44-33-23-10-2-1-9-22(23)32(42-33)43-34-24-11-3-4-12-25(24)36(45-34)47-38(28)49-39;;/h1-19H,20H2;1H3;/q-2;-1;.

What are the key properties of carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione?

carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione has a molecular weight of 750.26 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;copper;2-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 20692375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).