dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+))

C136H148Cu2N24O2Pt2 — CID 158690956

About dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+))

dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+)) (PubChem CID 158690956) has the molecular formula C136H148Cu2N24O2Pt2 and a molecular weight of 2668.09 g/mol. Its IUPAC name is dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+)).

Molecular Properties

• Compound Name: dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+))
• PubChem CID: 158690956
• Molecular Formula: C136H148Cu2N24O2Pt2
• Molecular Weight: 2668.09 g/mol
• Exact Mass: 2665.01
• IUPAC Name: dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+))
• SMILES: CC1(C)c2cn(-c3ccccc3)c(n2)C(C)(C)c2nc(cn2-c2ccccc2)C(C)(C)c2ccc([n-]2)C(C)(C)c2ccc1[n-]2.CC1(C)c2cn(-c3ccccc3)c(n2)C(C)(C)c2ncc([n-]2)C(C)(C)c2cnc([n-]2)C(C)(C)c2nc1cn2-c1ccccc1.CC1(C)c2nc(co2)C(C)(C)c2[n-]c(c3ccccc23)C(C)(C)c2[n-]c(c3ccccc23)C(C)(C)c2coc1n2.Cn1cc2nc1C(C)(C)c1ccc([n-]1)C(C)(C)c1ccc([n-]1)C(C)(C)c1nc(cn1C)C2(C)C.[Cu+2].[Cu+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C38H40N6.C36H38N8.C34H34N4O2.C28H36N6.2Cu.2Pt/c1-35(2)27-19-21-29(39-27)36(3,4)31-23-43(25-15-11-9-12-16-25)33(41-31)38(7,8)34-42-32(24-44(34)26-17-13-10-14-18-26)37(5,6)30-22-20-28(35)40-30;1-33(2)25-19-37-29(39-25)35(5,6)31-41-27(21-43(31)23-15-11-9-12-16-23)34(3,4)28-22-44(24-17-13-10-14-18-24)32(42-28)36(7,8)30-38-20-26(33)40-30;1-31(2)23-17-39-29(35-23)34(7,8)30-36-24(18-40-30)32(3,4)26-20-14-10-12-16-22(20)28(38-26)33(5,6)27-21-15-11-9-13-19(21)25(31)37-27;1-25(2)17-11-13-19(29-17)27(5,6)23-31-21(15-33(23)9)26(3,4)22-16-34(10)24(32-22)28(7,8)20-14-12-18(25)30-20;;;;/h9-24H,1-8H3;9-22H,1-8H3;9-18H,1-8H3;11-16H,1-10H3;;;;/q4*-2;4*+2
• InChIKey: IGIMQDQUVQALPZ-UHFFFAOYSA-N
• XLogP: 26.14
• TPSA: 297.56 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 4
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2668.09
LogP ≤ 5	26.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+))?

The IUPAC name of dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+)) (CID 158690956) is dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+)).

What is the SMILES notation for dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+))?

The canonical SMILES for dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+)) is CC1(C)c2cn(-c3ccccc3)c(n2)C(C)(C)c2nc(cn2-c2ccccc2)C(C)(C)c2ccc([n-]2)C(C)(C)c2ccc1[n-]2.CC1(C)c2cn(-c3ccccc3)c(n2)C(C)(C)c2ncc([n-]2)C(C)(C)c2cnc([n-]2)C(C)(C)c2nc1cn2-c1ccccc1.CC1(C)c2nc(co2)C(C)(C)c2[n-]c(c3ccccc23)C(C)(C)c2[n-]c(c3ccccc23)C(C)(C)c2coc1n2.Cn1cc2nc1C(C)(C)c1ccc([n-]1)C(C)(C)c1ccc([n-]1)C(C)(C)c1nc(cn1C)C2(C)C.[Cu+2].[Cu+2].[Pt+2].[Pt+2].

What is the InChIKey of dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+))?

The InChIKey is IGIMQDQUVQALPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N6.C36H38N8.C34H34N4O2.C28H36N6.2Cu.2Pt/c1-35(2)27-19-21-29(39-27)36(3,4)31-23-43(25-15-11-9-12-16-25)33(41-31)38(7,8)34-42-32(24-44(34)26-17-13-10-14-18-26)37(5,6)30-22-20-28(35)40-30;1-33(2)25-19-37-29(39-25)35(5,6)31-41-27(21-43(31)23-15-11-9-12-16-23)34(3,4)28-22-44(24-17-13-10-14-18-24)32(42-28)36(7,8)30-38-20-26(33)40-30;1-31(2)23-17-39-29(35-23)34(7,8)30-36-24(18-40-30)32(3,4)26-20-14-10-12-16-22(20)28(38-26)33(5,6)27-21-15-11-9-13-19(21)25(31)37-27;1-25(2)17-11-13-19(29-17)27(5,6)23-31-21(15-33(23)9)26(3,4)22-16-34(10)24(32-22)28(7,8)20-14-12-18(25)30-20;;;;/h9-24H,1-8H3;9-22H,1-8H3;9-18H,1-8H3;11-16H,1-10H3;;;;/q4*-2;4*+2.

What are the key properties of dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+))?

dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+)) has a molecular weight of 2668.09 g/mol, XLogP of 26.14, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for dicopper;2,2,4,7,7,10,12,12,17,17-decamethyl-4,10,23,24-tetraza-21,22-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3(24),5,8,11(23),13,15,18-octaene;2,2,11,11,16,16,21,21-octamethyl-14,18-dioxa-30,31-diaza-29,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(28),3,5,7,9,12,15(31),17(30),19,22,24,26-dodecaene;2,2,7,7,12,12,17,17-octamethyl-14,20-diphenyl-4,10,14,20,21,22-hexaza-23,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3,5,8,10,13(22),15,18-octaene;2,2,7,7,12,12,17,17-octamethyl-4,20-diphenyl-4,20,21,24-tetraza-22,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),3(24),5,8,10,13,15,18-octaene;bis(platinum(2+)) is sourced from PubChem (CID 158690956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).