copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone

C64H28CuN12O8 — CID 134915895

About copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone

copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone (PubChem CID 134915895) has the molecular formula C64H28CuN12O8 and a molecular weight of 1156.55 g/mol. Its IUPAC name is copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone.

Molecular Properties

• Compound Name: copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone
• PubChem CID: 134915895
• Molecular Formula: C64H28CuN12O8
• Molecular Weight: 1156.55 g/mol
• Exact Mass: 1155.14
• IUPAC Name: copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone
• SMILES: O=C1c2cc3c(cc2C(=O)N1c1ccccc1)-c1nc-3nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc5c(cc41)C(=O)N(c1ccccc1)C5=O)-c1cc4c(cc1-3)C(=O)N(c1ccccc1)C4=O)c1cc3c(cc21)C(=O)N(c1ccccc1)C3=O.[Cu+2]
• InChI: InChI=1S/C64H30N12O8.Cu/c77-57-41-21-33-34(22-42(41)58(78)73(57)29-13-5-1-6-14-29)50-65-49(33)69-51-35-23-43-45(61(81)74(59(43)79)30-15-7-2-8-16-30)25-37(35)53(66-51)71-55-39-27-47-48(64(84)76(63(47)83)32-19-11-4-12-20-32)28-40(39)56(68-55)72-54-38-26-46-44(24-36(38)52(67-54)70-50)60(80)75(62(46)82)31-17-9-3-10-18-31;/h1-28H,(H2,65,66,67,68,69,70,71,72,77,78,79,80,81,82,83,84);/q;+2/p-2
• InChIKey: OLBIOPPTBSXLMI-UHFFFAOYSA-L
• XLogP: 9.33
• TPSA: 255.06 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1156.55
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone?

The IUPAC name of copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone (CID 134915895) is copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone.

What is the SMILES notation for copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone?

The canonical SMILES for copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone is O=C1c2cc3c(cc2C(=O)N1c1ccccc1)-c1nc-3nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cc5c(cc41)C(=O)N(c1ccccc1)C5=O)-c1cc4c(cc1-3)C(=O)N(c1ccccc1)C4=O)c1cc3c(cc21)C(=O)N(c1ccccc1)C3=O.[Cu+2].

What is the InChIKey of copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone?

The InChIKey is OLBIOPPTBSXLMI-UHFFFAOYSA-L. The full InChI is InChI=1S/C64H30N12O8.Cu/c77-57-41-21-33-34(22-42(41)58(78)73(57)29-13-5-1-6-14-29)50-65-49(33)69-51-35-23-43-45(61(81)74(59(43)79)30-15-7-2-8-16-30)25-37(35)53(66-51)71-55-39-27-47-48(64(84)76(63(47)83)32-19-11-4-12-20-32)28-40(39)56(68-55)72-54-38-26-46-44(24-36(38)52(67-54)70-50)60(80)75(62(46)82)31-17-9-3-10-18-31;/h1-28H,(H2,65,66,67,68,69,70,71,72,77,78,79,80,81,82,83,84);/q;+2/p-2.

What are the key properties of copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone?

copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone has a molecular weight of 1156.55 g/mol, XLogP of 9.33, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for copper 8,20,32,44-tetraphenyl-2,8,14,20,26,32,38,44,49,51-decaza-50,52-diazanidatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone is sourced from PubChem (CID 134915895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).