8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene

C52H24F2 — CID 148806617

About 8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene

8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene (PubChem CID 148806617) has the molecular formula C52H24F2 and a molecular weight of 686.76 g/mol. Its IUPAC name is 8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene.

Molecular Properties

• Compound Name: 8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene
• PubChem CID: 148806617
• Molecular Formula: C52H24F2
• Molecular Weight: 686.76 g/mol
• Exact Mass: 686.18
• IUPAC Name: 8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene
• SMILES: Fc1ccccc1-c1c2ccccc2c2c3c(F)cccc3c3c4c(cc1c23)c1ccc2c3ccc5c6c(ccc(c7ccc4c1c27)c63)-c1ccccc1-5
• InChI: InChI=1S/C52H24F2/c53-41-14-6-5-12-36(41)43-27-10-3-4-11-28(27)50-49-37(13-7-15-42(49)54)51-48-38-23-22-34-32-19-17-30-26-9-2-1-8-25(26)29-16-18-31(45(32)44(29)30)33-20-21-35(47(38)46(33)34)39(48)24-40(43)52(50)51/h1-24H
• InChIKey: OPBZRUFGZYPQJB-UHFFFAOYSA-N
• XLogP: 15.12
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.76
LogP ≤ 5	15.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene?

The IUPAC name of 8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene (CID 148806617) is 8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene.

What is the SMILES notation for 8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene?

The canonical SMILES for 8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene is Fc1ccccc1-c1c2ccccc2c2c3c(F)cccc3c3c4c(cc1c23)c1ccc2c3ccc5c6c(ccc(c7ccc4c1c27)c63)-c1ccccc1-5.

What is the InChIKey of 8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene?

The InChIKey is OPBZRUFGZYPQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H24F2/c53-41-14-6-5-12-36(41)43-27-10-3-4-11-28(27)50-49-37(13-7-15-42(49)54)51-48-38-23-22-34-32-19-17-30-26-9-2-1-8-25(26)29-16-18-31(45(32)44(29)30)33-20-21-35(47(38)46(33)34)39(48)24-40(43)52(50)51/h1-24H.

What are the key properties of 8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene?

8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene has a molecular weight of 686.76 g/mol, XLogP of 15.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-17-(2-fluorophenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(41),2,4(9),5,7,10(46),11,13,15,17,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene is sourced from PubChem (CID 148806617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).