benzyl(triphenyl)phosphanium;triphenylphosphane

C43H37P2+ — CID 90751570

IUPACbenzyl(triphenyl)phosphanium;triphenylphosphane
SMILESc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P.C18H15P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-20H,21H2;1-15H/q+1;
InChIKeyDSGXJSFCIHKDAK-UHFFFAOYSA-N
MW615.72 g/mol
LogP8.63
Rot. Bonds8

About benzyl(triphenyl)phosphanium;triphenylphosphane

benzyl(triphenyl)phosphanium;triphenylphosphane (PubChem CID 90751570) has the molecular formula C43H37P2+ and a molecular weight of 615.72 g/mol. Its IUPAC name is benzyl(triphenyl)phosphanium;triphenylphosphane.

Molecular Properties

Compound Namebenzyl(triphenyl)phosphanium;triphenylphosphane
PubChem CID90751570
Molecular FormulaC43H37P2+
Molecular Weight615.72 g/mol
Exact Mass615.24
IUPAC Namebenzyl(triphenyl)phosphanium;triphenylphosphane
SMILESc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P.C18H15P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-20H,21H2;1-15H/q+1;
InChIKeyDSGXJSFCIHKDAK-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.72
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
benzyl(triphenyl)phosphanium phenoxide
CID 18469640
benzyl(triphenyl)phosphanium;N,N-diphenylaniline
CID 174624401
(4-chlorophenyl)methyl-triphenylphosphanium perchlorate
CID 71389118
benzyl-[4-(2-fluoroethoxy)phenyl]-diphenylphosphanium;bromomethylbenzene;[4-(2-fluoroethoxy)phenyl]-diphenylphosphane;hydrobromide
CID 161261294
carbanide;platinum(2+);bis(triphenylphosphane)
CID 11007152
2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 91315511
N-hydroxy-4-(triphenylphosphaniumylmethyl)benzeneamine oxide
CID 21126561
triphenylphosphane
CID 139056248

Frequently Asked Questions

What is the IUPAC name of benzyl(triphenyl)phosphanium;triphenylphosphane?
The IUPAC name of benzyl(triphenyl)phosphanium;triphenylphosphane (CID 90751570) is benzyl(triphenyl)phosphanium;triphenylphosphane.
What is the SMILES notation for benzyl(triphenyl)phosphanium;triphenylphosphane?
The canonical SMILES for benzyl(triphenyl)phosphanium;triphenylphosphane is c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzyl(triphenyl)phosphanium;triphenylphosphane?
The InChIKey is DSGXJSFCIHKDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22P.C18H15P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-20H,21H2;1-15H/q+1;.
What are the key properties of benzyl(triphenyl)phosphanium;triphenylphosphane?
benzyl(triphenyl)phosphanium;triphenylphosphane has a molecular weight of 615.72 g/mol, XLogP of 8.63, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(triphenyl)phosphanium;triphenylphosphane is sourced from PubChem (CID 90751570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).