aniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C30H7BF20N- — CID 22457446

IUPACaniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Nc1ccccc1
InChIInChI=1S/C24BF20.C6H7N/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;7-6-4-2-1-3-5-6/h;1-5H,7H2/q-1;
InChIKeyLPMZWOGSHOVIIE-UHFFFAOYSA-N
MW772.16 g/mol
LogP7.11
Rot. Bonds4

About aniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

aniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 22457446) has the molecular formula C30H7BF20N- and a molecular weight of 772.16 g/mol. Its IUPAC name is aniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Nameaniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID22457446
Molecular FormulaC30H7BF20N-
Molecular Weight772.16 g/mol
Exact Mass772.04
IUPAC Nameaniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Nc1ccccc1
InChIInChI=1S/C24BF20.C6H7N/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;7-6-4-2-1-3-5-6/h;1-5H,7H2/q-1;
InChIKeyLPMZWOGSHOVIIE-UHFFFAOYSA-N
XLogP7.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.16
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylanilinium tetrakis(pentafluorophenyl)borate
CID 10996402
N-bis(2,4-difluoroanilino)phosphinothioyl-2,4-difluoroaniline
CID 341835
4-(Triphenylstannyl)aniline
CID 3455691
N-[bis(2-fluoroanilino)-tris(2-fluoroanilino)silyloxysilyl]-2-fluoroaniline
CID 85673653
2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-N,N-diphenylaniline
CID 85875878
2-N,2-N',4-N,4-N',6-N,6-N'-hexakis(2-fluorophenyl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,4,6,6-hexamine
CID 101226487
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
[2-[Anilino(diphenyl)-lambda5-phosphanylidene]-2-[diphenyl(phenylimino)-lambda5-phosphanyl]ethylidyne]azaniumyl-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139097810
N-bis(4-fluoroanilino)boranyl-4-fluoroaniline
CID 139173825

Frequently Asked Questions

What is the IUPAC name of aniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of aniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 22457446) is aniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for aniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for aniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Nc1ccccc1.
What is the InChIKey of aniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is LPMZWOGSHOVIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20.C6H7N/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;7-6-4-2-1-3-5-6/h;1-5H,7H2/q-1;.
What are the key properties of aniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
aniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 772.16 g/mol, XLogP of 7.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 22457446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).