Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine

• CAS: 155773-71-0
• Catalog Number: ACM155773710-1
• Category: Organic & Printed Electronics
• Molecular Weight: 1148.06
• Molecular Formula: C64H80N8NiO8
• Synonyms: 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt
• IUPAC Name: nickel(2+);5,8,14,17,23,26,32,35-octabutoxy-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-nonadecaene
• Canonical SMILES: CCCCOC1=C2C(=C(C=C1)OCCCC)C3=NC4=NC(=NC5=C6C(=CC=C(C6=C([N-]5)N=C7C8=C(C=CC(=C8C(=N7)N=C2[N-]3)OCCCC)OCCCC)OCCCC)OCCCC)C9=C(C=CC(=C94)OCCCC)OCCCC.[Ni+2]
• InChI: InChI=1S/C64H80N8O8.Ni/c1-9-17-33-73-41-25-26-42(74-34-18-10-2)50-49(41)57-65-58(50)70-60-53-45(77-37-21-13-5)29-30-46(78-38-22-14-6)54(53)62(67-60)72-64-56-48(80-40-24-16-8)32-31-47(79-39-23-15-7)55(56)63(68-64)71-61-52-44(76-36-20-12-4)28-27-43(75-35-19-11-3)51(52)59(66-61)69-57;/h25-32H,9-24,33-40H2,1-8H3;/q-2;+2
• InChI Key: JFVRZEMMDHQJPH-UHFFFAOYSA-N
• Melting Point: 288-293° C (lit.)
• Storage: room temperature
• Complexity: 1830
• Covalently-Bonded Unit Count: 2
• Exact Mass: 1146.545g/mol
• H-Bond Acceptor: 12
• Heavy Atom Count: 81
• Monoisotopic Mass: 1146.545g/mol
• Rotatable Bond Count: 32
• Topological Polar Surface Area: 150A^2

Custom Q&A

What is the molecular formula of Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine?

The molecular formula is C64H80N8NiO8.

What is the synonym for Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine?

The synonym is 155773-71-0 Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine.

What is the molecular weight of Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine?

The molecular weight is 1148.1 g/mol.

What is the IUPAC name of Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine?

The IUPAC name is nickel(2+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.1 3,10 .1 12,19 .1 21,28 .0 4,9 .0 13,18 .0 22,27 .0 31,36 ]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene.

What is the InChI of Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine?

The InChI is InChI=1S/C64H80N8O8.Ni/c1-9-17-33-73-41-25-26-42(74-34-18-10-2)50-49(41)57-65-58(50)70-60-53-45(77-37-21-13-5)29-30-46(78-38-22-14-6)54(53)62(67-60)72-64-56-48(80-40-24-16-8)32-31-47(79-39-23-15-7)55(56)63(68-64)71-61-52-44(76-36-20-12-4)28-27-43(75-35-19-11-3)51(52)59(66-61)69-57;/h25-32H,9-24,33-40H2,1-8H3;/q-2;+2.

What is the CAS number for Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine?

The CAS number is 155773-71-0.

What is the hydrogen bond donor count of Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine?

The hydrogen bond acceptor count is 12.

What is the rotatable bond count of Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine?

The rotatable bond count is 32.

What is the topological polar surface area of Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine?

The topological polar surface area is 150Ų.