4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium

C20H28N+ — CID 3707188

IUPAC4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1C(C)C
InChIInChI=1S/C20H28N/c1-14(2)19-12-18(17-10-8-7-9-11-17)13-20(15(3)4)21(19)16(5)6/h7-16H,1-6H3/q+1
InChIKeyDHAXHOPMJQRLJJ-UHFFFAOYSA-N
MW282.45 g/mol
LogP5.47
Rot. Bonds4

About 4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium

4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium (PubChem CID 3707188) has the molecular formula C20H28N+ and a molecular weight of 282.45 g/mol. Its IUPAC name is 4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium
PubChem CID3707188
Molecular FormulaC20H28N+
Molecular Weight282.45 g/mol
Exact Mass282.22
IUPAC Name4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1C(C)C
InChIInChI=1S/C20H28N/c1-14(2)19-12-18(17-10-8-7-9-11-17)13-20(15(3)4)21(19)16(5)6/h7-16H,1-6H3/q+1
InChIKeyDHAXHOPMJQRLJJ-UHFFFAOYSA-N
XLogP5.47
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.45
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-2,6-di(propan-2-yl)-1-propylpyridin-1-ium
CID 3723031
4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]benzenesulfonamide chlorate
CID 24993673
1-methyl-3-phenyl-5-propan-2-ylbenzene
CID 123242650
1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium
CID 10862385
2-azulen-1-yl-4,6-diphenyl-1-propan-2-ylpyridin-1-ium
CID 102393069
ethane;1,3,5-triphenylbenzene
CID 142123051
4-[2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]ethyl]benzenesulfonamide chlorate
CID 24995233
2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene
CID 140720985
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
2,4-diphenyl-6-propan-2-yl-1-(1H-1,2,4-triazol-5-yl)pyridin-1-ium
CID 102094548
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium?
The IUPAC name of 4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium (CID 3707188) is 4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium.
What is the SMILES notation for 4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium?
The canonical SMILES for 4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium is CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1C(C)C.
What is the InChIKey of 4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium?
The InChIKey is DHAXHOPMJQRLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N/c1-14(2)19-12-18(17-10-8-7-9-11-17)13-20(15(3)4)21(19)16(5)6/h7-16H,1-6H3/q+1.
What are the key properties of 4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium?
4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium has a molecular weight of 282.45 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2,6-tri(propan-2-yl)pyridin-1-ium is sourced from PubChem (CID 3707188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).