anilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide

C24H6BF15N- — CID 102419220

IUPACanilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(F)c(F)c([B-](Nc2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24H6BF15N/c26-10-7(11(27)17(33)22(38)16(10)32)25(41-6-4-2-1-3-5-6,8-12(28)18(34)23(39)19(35)13(8)29)9-14(30)20(36)24(40)21(37)15(9)31/h1-5,41H/q-1
InChIKeyRQICIPXKOYKIBJ-UHFFFAOYSA-N
MW604.10 g/mol
LogP5.85
Rot. Bonds5

About anilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide

anilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 102419220) has the molecular formula C24H6BF15N- and a molecular weight of 604.10 g/mol. Its IUPAC name is anilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Nameanilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID102419220
Molecular FormulaC24H6BF15N-
Molecular Weight604.10 g/mol
Exact Mass604.04
IUPAC Nameanilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(F)c(F)c([B-](Nc2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24H6BF15N/c26-10-7(11(27)17(33)22(38)16(10)32)25(41-6-4-2-1-3-5-6,8-12(28)18(34)23(39)19(35)13(8)29)9-14(30)20(36)24(40)21(37)15(9)31/h1-5,41H/q-1
InChIKeyRQICIPXKOYKIBJ-UHFFFAOYSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.10
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

Analyze anilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dianilinoboranylaniline
CID 12126878
N-bis(2,4-difluoroanilino)phosphinothioyl-2,4-difluoroaniline
CID 341835
4-(Triphenylstannyl)aniline
CID 3455691
1,1,1,1-Tetrakis(o-fluorophenylamino)silane
CID 101697070
[Tris(pentafluorophenyl)silyl]aniline
CID 129816596
2,4,6-Tris(2,6-difluorophenyl)-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane
CID 134958874
Tris(2,3,4,5,6-pentafluorophenyl)-(phenylazaniumyl)boranuide
CID 139048441
N-bis(4-fluoroanilino)boranyl-4-fluoroaniline
CID 139173825
Bis(2,3,4,5,6-pentafluorophenyl)(2-(phenylazo)phenyl)borane
CID 139179895
(Phenyl-amino)diphenylborane
CID 11039901
Tris(3-fluorophenyl)-(3-fluorophenyl)imino-lambda5-phosphane
CID 21730572
Tris(3-fluorophenyl)-(4-fluorophenyl)imino-lambda5-phosphane
CID 21730573

Frequently Asked Questions

What is the IUPAC name of anilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of anilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide (CID 102419220) is anilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for anilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for anilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide is Fc1c(F)c(F)c([B-](Nc2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of anilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is RQICIPXKOYKIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H6BF15N/c26-10-7(11(27)17(33)22(38)16(10)32)25(41-6-4-2-1-3-5-6,8-12(28)18(34)23(39)19(35)13(8)29)9-14(30)20(36)24(40)21(37)15(9)31/h1-5,41H/q-1.
What are the key properties of anilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
anilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 604.10 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anilino-tris(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 102419220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).