1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium

C32H30P+ — CID 19842182

IUPAC1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium
SMILESCc1cc(C(C)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c2ccccc12
InChIInChI=1S/C32H30P/c1-24-23-32(25(2)31-22-14-13-21-30(24)31)26(3)33(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-23,26H,1-3H3/q+1
InChIKeyHMISNQOUPREEEI-UHFFFAOYSA-N
MW445.57 g/mol
LogP7.51
Rot. Bonds5

About 1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium

1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium (PubChem CID 19842182) has the molecular formula C32H30P+ and a molecular weight of 445.57 g/mol. Its IUPAC name is 1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium.

Molecular Properties

Compound Name1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium
PubChem CID19842182
Molecular FormulaC32H30P+
Molecular Weight445.57 g/mol
Exact Mass445.21
IUPAC Name1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium
SMILESCc1cc(C(C)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c2ccccc12
InChIInChI=1S/C32H30P/c1-24-23-32(25(2)31-22-14-13-21-30(24)31)26(3)33(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-23,26H,1-3H3/q+1
InChIKeyHMISNQOUPREEEI-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium?
The IUPAC name of 1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium (CID 19842182) is 1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium.
What is the SMILES notation for 1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium?
The canonical SMILES for 1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium is Cc1cc(C(C)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c2ccccc12.
What is the InChIKey of 1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium?
The InChIKey is HMISNQOUPREEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30P/c1-24-23-32(25(2)31-22-14-13-21-30(24)31)26(3)33(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-23,26H,1-3H3/q+1.
What are the key properties of 1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium?
1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium has a molecular weight of 445.57 g/mol, XLogP of 7.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylnaphthalen-2-yl)ethyl-triphenylphosphanium is sourced from PubChem (CID 19842182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).