(4-nonylphenyl)methyl-triphenylphosphanium

C34H40P+ — CID 21284846

IUPAC(4-nonylphenyl)methyl-triphenylphosphanium
SMILESCCCCCCCCCc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H40P/c1-2-3-4-5-6-7-11-18-30-25-27-31(28-26-30)29-35(32-19-12-8-13-20-32,33-21-14-9-15-22-33)34-23-16-10-17-24-34/h8-10,12-17,19-28H,2-7,11,18,29H2,1H3/q+1
InChIKeyGPQOEBQKEONROR-UHFFFAOYSA-N
MW479.67 g/mol
LogP8.47
Rot. Bonds13

About (4-nonylphenyl)methyl-triphenylphosphanium

(4-nonylphenyl)methyl-triphenylphosphanium (PubChem CID 21284846) has the molecular formula C34H40P+ and a molecular weight of 479.67 g/mol. Its IUPAC name is (4-nonylphenyl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(4-nonylphenyl)methyl-triphenylphosphanium
PubChem CID21284846
Molecular FormulaC34H40P+
Molecular Weight479.67 g/mol
Exact Mass479.29
IUPAC Name(4-nonylphenyl)methyl-triphenylphosphanium
SMILESCCCCCCCCCc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H40P/c1-2-3-4-5-6-7-11-18-30-25-27-31(28-26-30)29-35(32-19-12-8-13-20-32,33-21-14-9-15-22-33)34-23-16-10-17-24-34/h8-10,12-17,19-28H,2-7,11,18,29H2,1H3/q+1
InChIKeyGPQOEBQKEONROR-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-octylphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175114821
[4-(4-nonylphenyl)phenyl]methyl-triphenylphosphanium bromide
CID 19863171
6-(4-butylphenyl)hexyl-triphenylphosphanium
CID 129304665
(2-octylphenyl)methyl-triphenylphosphanium
CID 90019944
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
dodecylbenzene;sulfane
CID 20560423
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041

Frequently Asked Questions

What is the IUPAC name of (4-nonylphenyl)methyl-triphenylphosphanium?
The IUPAC name of (4-nonylphenyl)methyl-triphenylphosphanium (CID 21284846) is (4-nonylphenyl)methyl-triphenylphosphanium.
What is the SMILES notation for (4-nonylphenyl)methyl-triphenylphosphanium?
The canonical SMILES for (4-nonylphenyl)methyl-triphenylphosphanium is CCCCCCCCCc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-nonylphenyl)methyl-triphenylphosphanium?
The InChIKey is GPQOEBQKEONROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40P/c1-2-3-4-5-6-7-11-18-30-25-27-31(28-26-30)29-35(32-19-12-8-13-20-32,33-21-14-9-15-22-33)34-23-16-10-17-24-34/h8-10,12-17,19-28H,2-7,11,18,29H2,1H3/q+1.
What are the key properties of (4-nonylphenyl)methyl-triphenylphosphanium?
(4-nonylphenyl)methyl-triphenylphosphanium has a molecular weight of 479.67 g/mol, XLogP of 8.47, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nonylphenyl)methyl-triphenylphosphanium is sourced from PubChem (CID 21284846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).