[4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium

C46H48P+ — CID 176797570

IUPAC[4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium
SMILESCCC(CC(CC(CC)c1ccccc1)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C46H48P/c1-3-38(40-20-10-5-11-21-40)34-43(35-39(4-2)41-22-12-6-13-23-41)42-32-30-37(31-33-42)36-47(44-24-14-7-15-25-44,45-26-16-8-17-27-45)46-28-18-9-19-29-46/h5-33,38-39,43H,3-4,34-36H2,1-2H3/q+1
InChIKeyURWDPBKGCCUGNQ-UHFFFAOYSA-N
MW631.86 g/mol
LogP11.43
Rot. Bonds14

About [4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium

[4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium (PubChem CID 176797570) has the molecular formula C46H48P+ and a molecular weight of 631.86 g/mol. Its IUPAC name is [4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium
PubChem CID176797570
Molecular FormulaC46H48P+
Molecular Weight631.86 g/mol
Exact Mass631.35
IUPAC Name[4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium
SMILESCCC(CC(CC(CC)c1ccccc1)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C46H48P/c1-3-38(40-20-10-5-11-21-40)34-43(35-39(4-2)41-22-12-6-13-23-41)42-32-30-37(31-33-42)36-47(44-24-14-7-15-25-44,45-26-16-8-17-27-45)46-28-18-9-19-29-46/h5-33,38-39,43H,3-4,34-36H2,1-2H3/q+1
InChIKeyURWDPBKGCCUGNQ-UHFFFAOYSA-N
XLogP11.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.86
LogP ≤ 511.43
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

1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene
CID 59289101
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
azane;pentan-3-ylbenzene
CID 19774895
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
benzyl(triphenyl)phosphanium;triphenylphosphane
CID 90751570
1-phenyl-4-(2-phenylbutyl)benzene
CID 57285163
(4-ethoxyphenyl)methyl-triphenylphosphanium bromide
CID 2724470
(4-ethoxyphenyl)methyl-triphenylphosphanium;dihydrochloride
CID 174834857

Frequently Asked Questions

What is the IUPAC name of [4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium?
The IUPAC name of [4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium (CID 176797570) is [4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium.
What is the SMILES notation for [4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium?
The canonical SMILES for [4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium is CCC(CC(CC(CC)c1ccccc1)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium?
The InChIKey is URWDPBKGCCUGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48P/c1-3-38(40-20-10-5-11-21-40)34-43(35-39(4-2)41-22-12-6-13-23-41)42-32-30-37(31-33-42)36-47(44-24-14-7-15-25-44,45-26-16-8-17-27-45)46-28-18-9-19-29-46/h5-33,38-39,43H,3-4,34-36H2,1-2H3/q+1.
What are the key properties of [4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium?
[4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium has a molecular weight of 631.86 g/mol, XLogP of 11.43, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,7-diphenylnonan-5-yl)phenyl]methyl-triphenylphosphanium is sourced from PubChem (CID 176797570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).