(2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane

C36H7BF18O2 — CID 141042588

About (2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane

(2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane (PubChem CID 141042588) has the molecular formula C36H7BF18O2 and a molecular weight of 824.23 g/mol. Its IUPAC name is (2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane.

Molecular Properties

• Compound Name: (2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane
• PubChem CID: 141042588
• Molecular Formula: C36H7BF18O2
• Molecular Weight: 824.23 g/mol
• Exact Mass: 824.03
• IUPAC Name: (2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane
• SMILES: Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2OB(Oc2cccc3c(F)c(F)c(F)c(F)c23)c2c(F)c(F)c(F)c3c(F)c4c(F)cccc4cc23)c(F)c1F
• InChI: InChI=1S/C36H7BF18O2/c38-11-5-1-3-8-7-10-15(20(40)13(8)11)22(42)28(48)26(46)18(10)37(56-12-6-2-4-9-14(12)21(41)29(49)27(47)19(9)39)57-36-17(25(45)32(52)34(54)35(36)55)16-23(43)30(50)33(53)31(51)24(16)44/h1-7H
• InChIKey: KXFRAOPSNHUAMN-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.23
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane?

The IUPAC name of (2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane (CID 141042588) is (2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane.

What is the SMILES notation for (2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane?

The canonical SMILES for (2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane is Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2OB(Oc2cccc3c(F)c(F)c(F)c(F)c23)c2c(F)c(F)c(F)c3c(F)c4c(F)cccc4cc23)c(F)c1F.

What is the InChIKey of (2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane?

The InChIKey is KXFRAOPSNHUAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H7BF18O2/c38-11-5-1-3-8-7-10-15(20(40)13(8)11)22(42)28(48)26(46)18(10)37(56-12-6-2-4-9-14(12)21(41)29(49)27(47)19(9)39)57-36-17(25(45)32(52)34(54)35(36)55)16-23(43)30(50)33(53)31(51)24(16)44/h1-7H.

What are the key properties of (2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane?

(2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane has a molecular weight of 824.23 g/mol, XLogP of 11.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3,4,5,10-pentafluoroanthracen-1-yl)-(5,6,7,8-tetrafluoronaphthalen-1-yl)oxy-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]borane is sourced from PubChem (CID 141042588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).