(2,3,4,5,10-pentafluoroanthracen-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-(2,3,4-trifluorophenoxy)borane

C32H6BF17O2 — CID 141042602

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

(2,3,4,5,10-pentafluoroanthracen-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-(2,3,4-trifluorophenoxy)borane (PubChem CID 141042602) has the molecular formula C32H6BF17O2 and a molecular weight of 756.18 g/mol. Its IUPAC name is (2,3,4,5,10-pentafluoroanthracen-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-(2,3,4-trifluorophenoxy)borane.

Molecular Properties

• Compound Name: (2,3,4,5,10-pentafluoroanthracen-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-(2,3,4-trifluorophenoxy)borane
• PubChem CID: 141042602
• Molecular Formula: C32H6BF17O2
• Molecular Weight: 756.18 g/mol
• Exact Mass: 756.02
• IUPAC Name: (2,3,4,5,10-pentafluoroanthracen-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-(2,3,4-trifluorophenoxy)borane
• SMILES: Fc1ccc(OB(Oc2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c3c(F)c4c(F)cccc4cc23)c(F)c1F
• InChI: InChI=1S/C32H6BF17O2/c34-9-3-1-2-7-6-8-13(19(38)12(7)9)20(39)25(44)24(43)16(8)33(51-11-5-4-10(35)17(36)18(11)37)52-32-15(23(42)28(47)30(49)31(32)50)14-21(40)26(45)29(48)27(46)22(14)41/h1-6H
• InChIKey: RNHOPYGYLBYRFU-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.18
LogP ≤ 5	9.88
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)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-(2,3,4-trifluorophenoxy)borane?

The IUPAC name of (2,3,4,5,10-pentafluoroanthracen-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-(2,3,4-trifluorophenoxy)borane (CID 141042602) is (2,3,4,5,10-pentafluoroanthracen-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-(2,3,4-trifluorophenoxy)borane.

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

The canonical SMILES for (2,3,4,5,10-pentafluoroanthracen-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-(2,3,4-trifluorophenoxy)borane is Fc1ccc(OB(Oc2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)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)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-(2,3,4-trifluorophenoxy)borane?

The InChIKey is RNHOPYGYLBYRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H6BF17O2/c34-9-3-1-2-7-6-8-13(19(38)12(7)9)20(39)25(44)24(43)16(8)33(51-11-5-4-10(35)17(36)18(11)37)52-32-15(23(42)28(47)30(49)31(32)50)14-21(40)26(45)29(48)27(46)22(14)41/h1-6H.

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

(2,3,4,5,10-pentafluoroanthracen-1-yl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-(2,3,4-trifluorophenoxy)borane has a molecular weight of 756.18 g/mol, XLogP of 9.88, 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)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenoxy]-(2,3,4-trifluorophenoxy)borane is sourced from PubChem (CID 141042602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).