butyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide

C167H133B7Cl5F5N-7 — CID 159199810

IUPACbutyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide
SMILESCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.Clc1ccc([B-](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.Clc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.N#Cc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19BN.C24H16BCl4.C24H19BCl.C24H16BF4.C24H19BF.C24H20B.C22H24B/c27-20-21-16-18-25(19-17-21)26(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h1-19H;1-16H;1-19H;1-16H;1-19H;1-20H;4-18H,2-3,19H2,1H3/q7*-1
InChIKeyKPDJUSAFJHXKAT-UHFFFAOYSA-N
MW2501.85 g/mol
LogP26.18
Rot. Bonds30

About butyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide

butyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide (PubChem CID 159199810) has the molecular formula C167H133B7Cl5F5N-7 and a molecular weight of 2501.85 g/mol. Its IUPAC name is butyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide.

Molecular Properties

Compound Namebutyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide
PubChem CID159199810
Molecular FormulaC167H133B7Cl5F5N-7
Molecular Weight2501.85 g/mol
Exact Mass2498.95
IUPAC Namebutyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide
SMILESCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.Clc1ccc([B-](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.Clc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.N#Cc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19BN.C24H16BCl4.C24H19BCl.C24H16BF4.C24H19BF.C24H20B.C22H24B/c27-20-21-16-18-25(19-17-21)26(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h1-19H;1-16H;1-19H;1-16H;1-19H;1-20H;4-18H,2-3,19H2,1H3/q7*-1
InChIKeyKPDJUSAFJHXKAT-UHFFFAOYSA-N
XLogP26.18
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms185
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002501.85
LogP ≤ 526.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide with MolForge

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Related Compounds

bis(4-chlorophenyl)-[(4-cyanophenyl)methyl]sulfanium;butyl(triphenyl)boranuide
CID 18982362
CID 18982588
CID 18982588
(3-fluorophenyl)-hexyl-diphenylboranuide
CID 176748764
butyl(triphenyl)boranuide;diphenyliodanium
CID 10962913
N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-phenylphenyl)aniline;4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
CID 158714904
(3-chloro-4-methylphenyl)-hexyl-diphenylboranuide
CID 176748771
butyl-tris(4-methylphenyl)boranuide
CID 18400281
benzyl(dimethyl)sulfanium;butyl(triphenyl)boranuide
CID 18982460
4-(2-fluorophenyl)benzonitrile;4-(4-fluorophenyl)benzonitrile;4-phenylbenzonitrile
CID 157446413
didodecylazanium;tetrakis(4-fluorophenyl)boranuide
CID 139833691
fluorobenzene;hexane
CID 158112243
sodium;tetrakis(4-fluorophenyl)boranuide;hydrate
CID 44890704

Frequently Asked Questions

What is the IUPAC name of butyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide?
The IUPAC name of butyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide (CID 159199810) is butyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide.
What is the SMILES notation for butyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide?
The canonical SMILES for butyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide is CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.Clc1ccc([B-](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.Clc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.N#Cc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of butyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide?
The InChIKey is KPDJUSAFJHXKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BN.C24H16BCl4.C24H19BCl.C24H16BF4.C24H19BF.C24H20B.C22H24B/c27-20-21-16-18-25(19-17-21)26(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h1-19H;1-16H;1-19H;1-16H;1-19H;1-20H;4-18H,2-3,19H2,1H3/q7*-1.
What are the key properties of butyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide?
butyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide has a molecular weight of 2501.85 g/mol, XLogP of 26.18, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(triphenyl)boranuide;(4-chlorophenyl)-triphenylboranuide;(4-cyanophenyl)-triphenylboranuide;(4-fluorophenyl)-triphenylboranuide;tetrakis(4-chlorophenyl)boranuide;tetrakis(4-fluorophenyl)boranuide;tetraphenylboranuide is sourced from PubChem (CID 159199810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).