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

C34BF23 — CID 22456526

IUPACbis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane
SMILESFc1c(F)c(F)c(B(c2c(F)c(F)c(F)c3c(F)c4c(F)c(F)c(F)c(F)c4c(F)c23)c2c(F)c(F)c(F)c3c(F)c4c(F)c(F)c(F)c(F)c4c(F)c23)c(F)c1F
InChIInChI=1S/C34BF23/c36-12-1-3(14(38)7-5(12)18(42)28(52)30(54)20(7)44)16(40)26(50)22(46)9(1)35(11-24(48)32(56)34(58)33(57)25(11)49)10-2-4(17(41)27(51)23(10)47)15(39)8-6(13(2)37)19(43)29(53)31(55)21(8)45
InChIKeyAIOQPRKWKWEMRT-UHFFFAOYSA-N
MW856.14 g/mol
LogP10.01
Rot. Bonds3

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

bis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane (PubChem CID 22456526) has the molecular formula C34BF23 and a molecular weight of 856.14 g/mol. Its IUPAC name is bis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane.

Molecular Properties

Compound Namebis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane
PubChem CID22456526
Molecular FormulaC34BF23
Molecular Weight856.14 g/mol
Exact Mass855.97
IUPAC Namebis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane
SMILESFc1c(F)c(F)c(B(c2c(F)c(F)c(F)c3c(F)c4c(F)c(F)c(F)c(F)c4c(F)c23)c2c(F)c(F)c(F)c3c(F)c4c(F)c(F)c(F)c(F)c4c(F)c23)c(F)c1F
InChIInChI=1S/C34BF23/c36-12-1-3(14(38)7-5(12)18(42)28(52)30(54)20(7)44)16(40)26(50)22(46)9(1)35(11-24(48)32(56)34(58)33(57)25(11)49)10-2-4(17(41)27(51)23(10)47)15(39)8-6(13(2)37)19(43)29(53)31(55)21(8)45
InChIKeyAIOQPRKWKWEMRT-UHFFFAOYSA-N
XLogP10.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.14
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane?
The IUPAC name of bis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane (CID 22456526) is bis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane.
What is the SMILES notation for bis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane?
The canonical SMILES for bis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane is Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c3c(F)c4c(F)c(F)c(F)c(F)c4c(F)c23)c2c(F)c(F)c(F)c3c(F)c4c(F)c(F)c(F)c(F)c4c(F)c23)c(F)c1F.
What is the InChIKey of bis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane?
The InChIKey is AIOQPRKWKWEMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34BF23/c36-12-1-3(14(38)7-5(12)18(42)28(52)30(54)20(7)44)16(40)26(50)22(46)9(1)35(11-24(48)32(56)34(58)33(57)25(11)49)10-2-4(17(41)27(51)23(10)47)15(39)8-6(13(2)37)19(43)29(53)31(55)21(8)45.
What are the key properties of bis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane?
bis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane has a molecular weight of 856.14 g/mol, XLogP of 10.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl)-(2,3,4,5,6-pentafluorophenyl)borane is sourced from PubChem (CID 22456526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).