ethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine

C34H36N2P+ — CID 162723127

IUPACethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine
SMILESCCCc1ccccc1-c1cc(C)c(-c2ccccc2)c[n+]1PCC.c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C23H27NP.C11H9N/c1-4-11-19-14-9-10-15-21(19)23-16-18(3)22(17-24(23)25-5-2)20-12-7-6-8-13-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11/h6-10,12-17,25H,4-5,11H2,1-3H3;1-9H/q+1;
InChIKeyJUOUJQQQOYJYRQ-UHFFFAOYSA-N
MW503.65 g/mol
LogP8.78
Rot. Bonds7

About ethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine

ethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine (PubChem CID 162723127) has the molecular formula C34H36N2P+ and a molecular weight of 503.65 g/mol. Its IUPAC name is ethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine.

Molecular Properties

Compound Nameethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine
PubChem CID162723127
Molecular FormulaC34H36N2P+
Molecular Weight503.65 g/mol
Exact Mass503.26
IUPAC Nameethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine
SMILESCCCc1ccccc1-c1cc(C)c(-c2ccccc2)c[n+]1PCC.c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C23H27NP.C11H9N/c1-4-11-19-14-9-10-15-21(19)23-16-18(3)22(17-24(23)25-5-2)20-12-7-6-8-13-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11/h6-10,12-17,25H,4-5,11H2,1-3H3;1-9H/q+1;
InChIKeyJUOUJQQQOYJYRQ-UHFFFAOYSA-N
XLogP8.78
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 58.78
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-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
2-(2-butylphenyl)pyridine
CID 11977286
(Z)-5-hydroxy-1-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]hex-4-en-3-one
CID 137456988
1-propylazulene
CID 10397225
ethane;2-(4-propylphenyl)pyridine
CID 158701503
2-(2-octylphenyl)pyridine
CID 15643012
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
1,4-dimethyl-2-[1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-5-phenylpyridin-1-ium;1-methyl-2-[1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-5-phenylpyridin-1-ium;1-methyl-2-[1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-4-pyridin-2-ylpyridin-1-ium;1-methyl-2-[1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-5-pyridin-2-ylpyridin-1-ium
CID 160911078
2-[2-[2-(4-phenylphenyl)ethyl]phenyl]pyridine
CID 135057697
2-(2,3,4-trimethoxy-5-propylphenyl)pyridine
CID 173295109

Frequently Asked Questions

What is the IUPAC name of ethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine?
The IUPAC name of ethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine (CID 162723127) is ethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine.
What is the SMILES notation for ethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine?
The canonical SMILES for ethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine is CCCc1ccccc1-c1cc(C)c(-c2ccccc2)c[n+]1PCC.c1ccc(-c2ccccn2)cc1.
What is the InChIKey of ethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine?
The InChIKey is JUOUJQQQOYJYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NP.C11H9N/c1-4-11-19-14-9-10-15-21(19)23-16-18(3)22(17-24(23)25-5-2)20-12-7-6-8-13-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11/h6-10,12-17,25H,4-5,11H2,1-3H3;1-9H/q+1;.
What are the key properties of ethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine?
ethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine has a molecular weight of 503.65 g/mol, XLogP of 8.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-methyl-5-phenyl-2-(2-propylphenyl)pyridin-1-ium-1-yl]phosphane;2-phenylpyridine is sourced from PubChem (CID 162723127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).