5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane

C36H35N2+ — CID 169180728

IUPAC5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane
SMILESCC.Cc1cc(C)c(-[n+]2cc3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3c2)c(C)c1
InChIInChI=1S/C34H29N2.C2H6/c1-24-17-25(2)34(26(3)18-24)35-22-32-15-10-16-33(36(32)23-35)31-20-29(27-11-6-4-7-12-27)19-30(21-31)28-13-8-5-9-14-28;1-2/h4-23H,1-3H3;1-2H3/q+1;
InChIKeyVSCBWZIBDCADCS-UHFFFAOYSA-N
MW495.69 g/mol
LogP9.17
Rot. Bonds4

About 5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane

5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane (PubChem CID 169180728) has the molecular formula C36H35N2+ and a molecular weight of 495.69 g/mol. Its IUPAC name is 5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane.

Molecular Properties

Compound Name5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane
PubChem CID169180728
Molecular FormulaC36H35N2+
Molecular Weight495.69 g/mol
Exact Mass495.28
IUPAC Name5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane
SMILESCC.Cc1cc(C)c(-[n+]2cc3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3c2)c(C)c1
InChIInChI=1S/C34H29N2.C2H6/c1-24-17-25(2)34(26(3)18-24)35-22-32-15-10-16-33(36(32)23-35)31-20-29(27-11-6-4-7-12-27)19-30(21-31)28-13-8-5-9-14-28;1-2/h4-23H,1-3H3;1-2H3/q+1;
InChIKeyVSCBWZIBDCADCS-UHFFFAOYSA-N
XLogP9.17
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.69
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,11-bis(2,4,6-trimethylphenyl)-1,2-diaza-4,11-diazoniatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 137154952
2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
CID 168892681
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
ethane;1,3,5-triphenylbenzene
CID 142123051
2,6-dimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
CID 169409962
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520
2-(2,6-dibenzhydryl-4-methylphenyl)-N,N-diethylimidazo[1,5-a]pyridin-2-ium-5-amine
CID 168956458
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
2,4,6-triphenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium tetrafluoroborate
CID 44888468
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane?
The IUPAC name of 5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane (CID 169180728) is 5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane.
What is the SMILES notation for 5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane?
The canonical SMILES for 5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane is CC.Cc1cc(C)c(-[n+]2cc3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3c2)c(C)c1.
What is the InChIKey of 5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane?
The InChIKey is VSCBWZIBDCADCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N2.C2H6/c1-24-17-25(2)34(26(3)18-24)35-22-32-15-10-16-33(36(32)23-35)31-20-29(27-11-6-4-7-12-27)19-30(21-31)28-13-8-5-9-14-28;1-2/h4-23H,1-3H3;1-2H3/q+1;.
What are the key properties of 5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane?
5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane has a molecular weight of 495.69 g/mol, XLogP of 9.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diphenylphenyl)-2-(2,4,6-trimethylphenyl)imidazo[1,5-a]pyridin-2-ium;ethane is sourced from PubChem (CID 169180728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).