2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate

C36H32F24N12P4 — CID 139122015

About 2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate

2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate (PubChem CID 139122015) has the molecular formula C36H32F24N12P4 and a molecular weight of 1212.58 g/mol. Its IUPAC name is 2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate.

Molecular Properties

• Compound Name: 2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate
• PubChem CID: 139122015
• Molecular Formula: C36H32F24N12P4
• Molecular Weight: 1212.58 g/mol
• Exact Mass: 1212.14
• IUPAC Name: 2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate
• SMILES: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1cc2nc(c1)C[n+]1ccn(c1)-c1cccc(n1)-n1cc[n+](c1)Cc1cccc(n1)C[n+]1ccn(c1)-c1cccc(n1)-n1cc[n+](c1)C2
• InChI: InChI=1S/C36H32N12.4F6P/c1-5-29-21-41-13-17-45(25-41)33-9-3-11-35(39-33)47-19-15-43(27-47)23-31-7-2-8-32(38-31)24-44-16-20-48(28-44)36-12-4-10-34(40-36)46-18-14-42(26-46)22-30(6-1)37-29;4*1-7(2,3,4,5)6/h1-20,25-28H,21-24H2;;;;/q+4;4*-1
• InChIKey: ASNUERCOHXVJNT-UHFFFAOYSA-N
• XLogP: 15.62
• TPSA: 86.80 Ų
• H-Bond Acceptors: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1212.58
LogP ≤ 5	15.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate?

The IUPAC name of 2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate (CID 139122015) is 2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate.

What is the SMILES notation for 2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate?

The canonical SMILES for 2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1cc2nc(c1)C[n+]1ccn(c1)-c1cccc(n1)-n1cc[n+](c1)Cc1cccc(n1)C[n+]1ccn(c1)-c1cccc(n1)-n1cc[n+](c1)C2.

What is the InChIKey of 2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate?

The InChIKey is ASNUERCOHXVJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N12.4F6P/c1-5-29-21-41-13-17-45(25-41)33-9-3-11-35(39-33)47-19-15-43(27-47)23-31-7-2-8-32(38-31)24-44-16-20-48(28-44)36-12-4-10-34(40-36)46-18-14-42(26-46)22-30(6-1)37-29;4*1-7(2,3,4,5)6/h1-20,25-28H,21-24H2;;;;/q+4;4*-1.

What are the key properties of 2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate?

2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate has a molecular weight of 1212.58 g/mol, XLogP of 15.62, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,16,22,36,41,43,45,47-octaza-5,13,25,33-tetrazonianonacyclo[35.3.1.12,5.17,11.113,16.117,21.122,25.127,31.133,36]octatetraconta-1(41),3,5(48),7(47),8,10,13(46),14,17(45),18,20,23,25(44),27,29,31(43),33(42),34,37,39-icosaene tetrahexafluorophosphate is sourced from PubChem (CID 139122015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).