1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium

C27H24N+ — CID 154719600

IUPAC1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium
SMILESCC1([n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)CC1
InChIInChI=1S/C27H24N/c1-27(17-18-27)28-25(22-13-7-3-8-14-22)19-24(21-11-5-2-6-12-21)20-26(28)23-15-9-4-10-16-23/h2-16,19-20H,17-18H2,1H3/q+1
InChIKeyGDPNHTHXABPLKY-UHFFFAOYSA-N
MW362.50 g/mol
LogP6.48
Rot. Bonds4

About 1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium

1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium (PubChem CID 154719600) has the molecular formula C27H24N+ and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium
PubChem CID154719600
Molecular FormulaC27H24N+
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Name1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium
SMILESCC1([n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)CC1
InChIInChI=1S/C27H24N/c1-27(17-18-27)28-25(22-13-7-3-8-14-22)19-24(21-11-5-2-6-12-21)20-26(28)23-15-9-4-10-16-23/h2-16,19-20H,17-18H2,1H3/q+1
InChIKeyGDPNHTHXABPLKY-UHFFFAOYSA-N
XLogP6.48
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 56.48
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

carbanide;1-methyl-2,4,6-triphenylpyridin-1-ium
CID 160651520
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
2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine
CID 140825834
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
1,1,4,4-tetramethyl-6-phenyl-2,3-dihydroanthracene
CID 10470919
4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium
CID 2326756
acetylene;1,1'-biphenyl
CID 161077140
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;tris(1,1'-biphenyl)
CID 162155747

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium?
The IUPAC name of 1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium (CID 154719600) is 1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium.
What is the SMILES notation for 1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium?
The canonical SMILES for 1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium is CC1([n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium?
The InChIKey is GDPNHTHXABPLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N/c1-27(17-18-27)28-25(22-13-7-3-8-14-22)19-24(21-11-5-2-6-12-21)20-26(28)23-15-9-4-10-16-23/h2-16,19-20H,17-18H2,1H3/q+1.
What are the key properties of 1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium?
1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium has a molecular weight of 362.50 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-2,4,6-triphenylpyridin-1-ium is sourced from PubChem (CID 154719600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).