(17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene

C32H35F24IN6 — CID 155655883

About (17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene

(17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene (PubChem CID 155655883) has the molecular formula C32H35F24IN6 and a molecular weight of 1086.53 g/mol. Its IUPAC name is (17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene.

Molecular Properties

• Compound Name: (17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene
• PubChem CID: 155655883
• Molecular Formula: C32H35F24IN6
• Molecular Weight: 1086.53 g/mol
• Exact Mass: 1086.16
• IUPAC Name: (17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene
• SMILES: C=CCCCCCCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C/CCCCCCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I)N=[N+]=[N-])N=[N+]=[N-]
• InChI: InChI=1S/C32H35F24IN6/c1-2-3-4-5-8-11-14-19(60-62-58)17-22(35,36)25(41,42)28(47,48)27(45,46)24(39,40)21(33,34)16-13-10-7-6-9-12-15-20(61-63-59)18-23(37,38)26(43,44)29(49,50)30(51,52)31(53,54)32(55,56)57/h2,13,16,19-20H,1,3-12,14-15,17-18H2/b16-13+
• InChIKey: IEZAXRRYVJMTBZ-DTQAZKPQSA-N
• XLogP: 16.56
• TPSA: 97.52 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 31
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1086.53
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene?

The IUPAC name of (17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene (CID 155655883) is (17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene.

What is the SMILES notation for (17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene?

The canonical SMILES for (17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene is C=CCCCCCCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C/CCCCCCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I)N=[N+]=[N-])N=[N+]=[N-].

What is the InChIKey of (17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene?

The InChIKey is IEZAXRRYVJMTBZ-DTQAZKPQSA-N. The full InChI is InChI=1S/C32H35F24IN6/c1-2-3-4-5-8-11-14-19(60-62-58)17-22(35,36)25(41,42)28(47,48)27(45,46)24(39,40)21(33,34)16-13-10-7-6-9-12-15-20(61-63-59)18-23(37,38)26(43,44)29(49,50)30(51,52)31(53,54)32(55,56)57/h2,13,16,19-20H,1,3-12,14-15,17-18H2/b16-13+.

What are the key properties of (17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene?

(17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene has a molecular weight of 1086.53 g/mol, XLogP of 16.56, 31 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene is sourced from PubChem (CID 155655883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).