3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine

C34H10BF15Te — CID 122219742

IUPAC3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine
SMILESFc1c(F)c(F)c(B2C(c3c(F)c(F)c(F)c(F)c3F)=C(c3ccccc3)[Te]C(c3ccccc3)=C2c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C34H10BF15Te/c36-18-13(19(37)25(43)30(48)24(18)42)15-33(11-7-3-1-4-8-11)51-34(12-9-5-2-6-10-12)16(14-20(38)26(44)31(49)27(45)21(14)39)35(15)17-22(40)28(46)32(50)29(47)23(17)41/h1-10H
InChIKeyZEBGHTLPHVLODM-UHFFFAOYSA-N
MW841.84 g/mol
LogP9.41
Rot. Bonds5

About 3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine

3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine (PubChem CID 122219742) has the molecular formula C34H10BF15Te and a molecular weight of 841.84 g/mol. Its IUPAC name is 3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine.

Molecular Properties

Compound Name3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine
PubChem CID122219742
Molecular FormulaC34H10BF15Te
Molecular Weight841.84 g/mol
Exact Mass843.97
IUPAC Name3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine
SMILESFc1c(F)c(F)c(B2C(c3c(F)c(F)c(F)c(F)c3F)=C(c3ccccc3)[Te]C(c3ccccc3)=C2c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C34H10BF15Te/c36-18-13(19(37)25(43)30(48)24(18)42)15-33(11-7-3-1-4-8-11)51-34(12-9-5-2-6-10-12)16(14-20(38)26(44)31(49)27(45)21(14)39)35(15)17-22(40)28(46)32(50)29(47)23(17)41/h1-10H
InChIKeyZEBGHTLPHVLODM-UHFFFAOYSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.84
LogP ≤ 59.41
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': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine?
The IUPAC name of 3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine (CID 122219742) is 3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine.
What is the SMILES notation for 3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine?
The canonical SMILES for 3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine is Fc1c(F)c(F)c(B2C(c3c(F)c(F)c(F)c(F)c3F)=C(c3ccccc3)[Te]C(c3ccccc3)=C2c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine?
The InChIKey is ZEBGHTLPHVLODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H10BF15Te/c36-18-13(19(37)25(43)30(48)24(18)42)15-33(11-7-3-1-4-8-11)51-34(12-9-5-2-6-10-12)16(14-20(38)26(44)31(49)27(45)21(14)39)35(15)17-22(40)28(46)32(50)29(47)23(17)41/h1-10H.
What are the key properties of 3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine?
3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine has a molecular weight of 841.84 g/mol, XLogP of 9.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(2,3,4,5,6-pentafluorophenyl)-2,6-diphenyl-1,4-telluraborinine is sourced from PubChem (CID 122219742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).