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

C37H3BF22O3 — CID 151654204

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

(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) borate (PubChem CID 151654204) has the molecular formula C37H3BF22O3 and a molecular weight of 924.20 g/mol. Its IUPAC name is (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) borate.

Molecular Properties

• Compound Name: (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) borate
• PubChem CID: 151654204
• Molecular Formula: C37H3BF22O3
• Molecular Weight: 924.20 g/mol
• Exact Mass: 923.98
• IUPAC Name: (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) borate
• SMILES: Fc1cc2c(OB(Oc3c(F)c(F)c(F)c4c3C(F)(F)c3c(F)c(F)c(F)c(F)c3-4)Oc3c(F)c(F)c(F)c4c(F)c5c(F)c(F)c(F)c(F)c5c(F)c34)ccc(F)c2c(F)c1F
• InChI: InChI=1S/C37H3BF22O3/c39-5-1-2-7(4-3-6(40)17(41)20(44)8(4)5)61-38(63-36-16-10(22(46)30(54)34(36)58)9-15(37(16,59)60)26(50)32(56)27(51)21(9)45)62-35-14-13(25(49)31(55)33(35)57)18(42)11-12(19(14)43)24(48)29(53)28(52)23(11)47/h1-3H
• InChIKey: QVDGOQRSVHTESX-UHFFFAOYSA-N
• XLogP: 12.57
• 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	924.20
LogP ≤ 5	12.57
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'}

Frequently Asked Questions

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

The IUPAC name of (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) borate (CID 151654204) is (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) borate.

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

The canonical SMILES for (2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) borate is Fc1cc2c(OB(Oc3c(F)c(F)c(F)c4c3C(F)(F)c3c(F)c(F)c(F)c(F)c3-4)Oc3c(F)c(F)c(F)c4c(F)c5c(F)c(F)c(F)c(F)c5c(F)c34)ccc(F)c2c(F)c1F.

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

The InChIKey is QVDGOQRSVHTESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H3BF22O3/c39-5-1-2-7(4-3-6(40)17(41)20(44)8(4)5)61-38(63-36-16-10(22(46)30(54)34(36)58)9-15(37(16,59)60)26(50)32(56)27(51)21(9)45)62-35-14-13(25(49)31(55)33(35)57)18(42)11-12(19(14)43)24(48)29(53)28(52)23(11)47/h1-3H.

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

(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) borate has a molecular weight of 924.20 g/mol, XLogP of 12.57, 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) (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl) (4,5,6,7-tetrafluoronaphthalen-1-yl) borate is sourced from PubChem (CID 151654204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).