25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+)

C59H50N4NiO2 — CID 56655306

About 25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+)

25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+) (PubChem CID 56655306) has the molecular formula C59H50N4NiO2 and a molecular weight of 905.77 g/mol. Its IUPAC name is 25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+).

Molecular Properties

• Compound Name: 25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+)
• PubChem CID: 56655306
• Molecular Formula: C59H50N4NiO2
• Molecular Weight: 905.77 g/mol
• Exact Mass: 904.33
• IUPAC Name: 25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+)
• SMILES: COc1ccc2c3c4nc(c(-c5c(C)cc(C)cc5C)c5ccc([n-]5)c(-c5c(C)cc(C)cc5C)c5nc(c(-c6c(C)cc(C)cc6C)c6cc(c3[n-]6)c3c(OC)ccc1c23)C=C5)C=C4.[Ni+2]
• InChI: InChI=1S/C59H50N4O2.Ni/c1-29-22-32(4)50(33(5)23-29)56-42-15-14-41(60-42)54-39-13-20-48(64-10)38-12-21-49(65-11)55(53(38)39)40-28-47(63-59(40)54)58(52-36(8)26-31(3)27-37(52)9)46-19-18-45(62-46)57(44-17-16-43(56)61-44)51-34(6)24-30(2)25-35(51)7;/h12-28H,1-11H3;/q-2;+2/b54-41+,56-42-,56-43+,57-44-,57-45-,58-46+,58-47+
• InChIKey: YEAZZTUSJVZIDE-UFIPBQDNSA-N
• XLogP: 14.60
• TPSA: 72.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.77
LogP ≤ 5	14.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+)?

The IUPAC name of 25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+) (CID 56655306) is 25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+).

What is the SMILES notation for 25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+)?

The canonical SMILES for 25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+) is COc1ccc2c3c4nc(c(-c5c(C)cc(C)cc5C)c5ccc([n-]5)c(-c5c(C)cc(C)cc5C)c5nc(c(-c6c(C)cc(C)cc6C)c6cc(c3[n-]6)c3c(OC)ccc1c23)C=C5)C=C4.[Ni+2].

What is the InChIKey of 25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+)?

The InChIKey is YEAZZTUSJVZIDE-UFIPBQDNSA-N. The full InChI is InChI=1S/C59H50N4O2.Ni/c1-29-22-32(4)50(33(5)23-29)56-42-15-14-41(60-42)54-39-13-20-48(64-10)38-12-21-49(65-11)55(53(38)39)40-28-47(63-59(40)54)58(52-36(8)26-31(3)27-37(52)9)46-19-18-45(62-46)57(44-17-16-43(56)61-44)51-34(6)24-30(2)25-35(51)7;/h12-28H,1-11H3;/q-2;+2/b54-41+,56-42-,56-43+,57-44-,57-45-,58-46+,58-47+;.

What are the key properties of 25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+)?

25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+) has a molecular weight of 905.77 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+) is sourced from PubChem (CID 56655306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).