(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate

C36BF23O3 — CID 150254994

About (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate

(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate (PubChem CID 150254994) has the molecular formula C36BF23O3 and a molecular weight of 928.16 g/mol. Its IUPAC name is (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate.

Molecular Properties

• Compound Name: (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate
• PubChem CID: 150254994
• Molecular Formula: C36BF23O3
• Molecular Weight: 928.16 g/mol
• Exact Mass: 927.96
• IUPAC Name: (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate
• SMILES: Fc1c(F)c(F)c(OB(Oc2c(F)c(F)c(F)c3c(F)c4c(F)c(F)c(F)c(F)c4c(F)c23)Oc2c(F)c(F)c3c(F)c(F)c4c(F)c(F)c(F)c5c(F)c(F)c2c3c45)c(F)c1F
• InChI: InChI=1S/C36BF23O3/c38-11-6-7(19(46)25(52)24(51)18(6)45)12(39)10-8(11)20(47)26(53)31(58)35(10)62-37(63-36-32(59)28(55)27(54)29(56)33(36)60)61-34-9-2-1-3(13(40)14(41)5(2)21(48)30(34)57)16(43)23(50)17(44)4(1)15(42)22(9)49
• InChIKey: GAJGCHIORIWOTH-UHFFFAOYSA-N
• XLogP: 12.61
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.16
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate?

The IUPAC name of (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate (CID 150254994) is (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate.

What is the SMILES notation for (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate?

The canonical SMILES for (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate is Fc1c(F)c(F)c(OB(Oc2c(F)c(F)c(F)c3c(F)c4c(F)c(F)c(F)c(F)c4c(F)c23)Oc2c(F)c(F)c3c(F)c(F)c4c(F)c(F)c(F)c5c(F)c(F)c2c3c45)c(F)c1F.

What is the InChIKey of (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate?

The InChIKey is GAJGCHIORIWOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36BF23O3/c38-11-6-7(19(46)25(52)24(51)18(6)45)12(39)10-8(11)20(47)26(53)31(58)35(10)62-37(63-36-32(59)28(55)27(54)29(56)33(36)60)61-34-9-2-1-3(13(40)14(41)5(2)21(48)30(34)57)16(43)23(50)17(44)4(1)15(42)22(9)49.

What are the key properties of (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate?

(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate has a molecular weight of 928.16 g/mol, XLogP of 12.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl) (2,3,4,5,6-pentafluorophenyl) borate is sourced from PubChem (CID 150254994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).