carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium

C25H23N — CID 160651520

IUPACcarbanide;1-methyl-2,4,6-triphenylpyridin-1-ium
SMILESC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.[CH3-]
InChIInChI=1S/C24H20N.CH3/c1-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;/h2-18H,1H3;1H3/q+1;-1
InChIKeyRKMGKLDVCVARMJ-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.96
Rot. Bonds3

About carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium

carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium (PubChem CID 160651520) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium.

Molecular Properties

Compound Namecarbanide;1-methyl-2,4,6-triphenylpyridin-1-ium
PubChem CID160651520
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Namecarbanide;1-methyl-2,4,6-triphenylpyridin-1-ium
SMILESC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.[CH3-]
InChIInChI=1S/C24H20N.CH3/c1-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;/h2-18H,1H3;1H3/q+1;-1
InChIKeyRKMGKLDVCVARMJ-UHFFFAOYSA-N
XLogP5.96
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium
CID 2326756
4-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2,6-diphenylpyridin-1-ium tetrafluoroborate
CID 10578472
ethane;1,3,5-triphenylbenzene
CID 142123051
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
1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium
CID 154719600
2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium
CID 2855579
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
1-methyl-4,6-diphenylpyrimidin-1-ium-2-amine
CID 12582859
benzene;1,1'-biphenyl;ethane
CID 158550617
potassium;1,1'-biphenyl;carbanide
CID 144916134

Frequently Asked Questions

What is the IUPAC name of carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium?
The IUPAC name of carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium (CID 160651520) is carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium.
What is the SMILES notation for carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium?
The canonical SMILES for carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium is C[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.[CH3-].
What is the InChIKey of carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium?
The InChIKey is RKMGKLDVCVARMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N.CH3/c1-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;/h2-18H,1H3;1H3/q+1;-1.
What are the key properties of carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium?
carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium has a molecular weight of 337.47 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium is sourced from PubChem (CID 160651520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).