[2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium

C35H28OP+ — CID 156571682

IUPAC[2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium
SMILESCOc1cccc2cccc(-c3ccccc3[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C35H28OP/c1-36-33-25-14-16-27-15-13-24-32(35(27)33)31-23-11-12-26-34(31)37(28-17-5-2-6-18-28,29-19-7-3-8-20-29)30-21-9-4-10-22-30/h2-26H,1H3/q+1
InChIKeyVELPZIYKUSDPRX-UHFFFAOYSA-N
MW495.58 g/mol
LogP7.13
Rot. Bonds6

About [2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium

[2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium (PubChem CID 156571682) has the molecular formula C35H28OP+ and a molecular weight of 495.58 g/mol. Its IUPAC name is [2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium
PubChem CID156571682
Molecular FormulaC35H28OP+
Molecular Weight495.58 g/mol
Exact Mass495.19
IUPAC Name[2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium
SMILESCOc1cccc2cccc(-c3ccccc3[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C35H28OP/c1-36-33-25-14-16-27-15-13-24-32(35(27)33)31-23-11-12-26-34(31)37(28-17-5-2-6-18-28,29-19-7-3-8-20-29)30-21-9-4-10-22-30/h2-26H,1H3/q+1
InChIKeyVELPZIYKUSDPRX-UHFFFAOYSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl)-triphenylphosphanium bromide
CID 18355982
1-methoxy-8-(8-methylnaphthalen-1-yl)naphthalene
CID 123360792
(2-naphthalen-1-ylphenyl)-triphenylphosphanium bromide
CID 18356036
2-(8-methoxynaphthalen-1-yl)pyridin-1-ium
CID 57090583
8-methoxy-7,12-diphenylbenzo[k]fluoranthene
CID 151612057
4-methoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 102346383
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium
CID 146458339
3-(8-methoxynaphthalen-1-yl)-N,N-dimethylpyridin-4-amine
CID 10826459
bis(2-methoxyphenyl)-dimethylphosphanium
CID 102310602
methyl-diphenyl-(2-pyren-1-ylphenyl)phosphanium chloride
CID 159113446
N-[8-(2-methoxyphenyl)naphthalen-1-yl]acetamide
CID 141351710
1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379

Frequently Asked Questions

What is the IUPAC name of [2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium?
The IUPAC name of [2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium (CID 156571682) is [2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium.
What is the SMILES notation for [2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium?
The canonical SMILES for [2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium is COc1cccc2cccc(-c3ccccc3[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c12.
What is the InChIKey of [2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium?
The InChIKey is VELPZIYKUSDPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28OP/c1-36-33-25-14-16-27-15-13-24-32(35(27)33)31-23-11-12-26-34(31)37(28-17-5-2-6-18-28,29-19-7-3-8-20-29)30-21-9-4-10-22-30/h2-26H,1H3/q+1.
What are the key properties of [2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium?
[2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium has a molecular weight of 495.58 g/mol, XLogP of 7.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium is sourced from PubChem (CID 156571682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).