4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium

C26H22N2+2 — CID 91801370

IUPAC4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium
SMILESCc1cccc2[n+]1C(C1c3ccccc3-c3cccc(C)[n+]31)c1ccccc1-2
InChIInChI=1S/C26H22N2/c1-17-9-7-15-23-19-11-3-5-13-21(19)25(27(17)23)26-22-14-6-4-12-20(22)24-16-8-10-18(2)28(24)26/h3-16,25-26H,1-2H3/q+2
InChIKeyVQCCWPJNHKMROY-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.72
Rot. Bonds1

About 4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium

4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium (PubChem CID 91801370) has the molecular formula C26H22N2+2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium.

Molecular Properties

Compound Name4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium
PubChem CID91801370
Molecular FormulaC26H22N2+2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium
SMILESCc1cccc2[n+]1C(C1c3ccccc3-c3cccc(C)[n+]31)c1ccccc1-2
InChIInChI=1S/C26H22N2/c1-17-9-7-15-23-19-11-3-5-13-21(19)25(27(17)23)26-22-14-6-4-12-20(22)24-16-8-10-18(2)28(24)26/h3-16,25-26H,1-2H3/q+2
InChIKeyVQCCWPJNHKMROY-UHFFFAOYSA-N
XLogP4.72
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.72
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

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CID 143953901
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CID 58321386
15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene
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14-(2,4,6-trimethylphenyl)-27,28-diazonia-14-boraheptacyclo[13.11.1.12,9.03,8.019,27.020,25.013,28]octacosa-3,5,7,9,11,13(28),15(27),16,18,20,22,24-dodecaene
CID 172603767
(2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene
CID 174293968
4-(2-methylbutan-2-yl)-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 168752236
ethane;2,26,27-triazoniaoctacyclo[12.12.12.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2,4,6,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaene
CID 177317757
3,6-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium
CID 59725414
3-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 162700912
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CID 176815409
14-[2-methyl-6-(2-methylphenyl)pyridin-1-ium-1-yl]-14-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-10-oxa-16-azoniapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,16,18,20-nonaene
CID 91410798
1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium?
The IUPAC name of 4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium (CID 91801370) is 4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium.
What is the SMILES notation for 4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium?
The canonical SMILES for 4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium is Cc1cccc2[n+]1C(C1c3ccccc3-c3cccc(C)[n+]31)c1ccccc1-2.
What is the InChIKey of 4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium?
The InChIKey is VQCCWPJNHKMROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c1-17-9-7-15-23-19-11-3-5-13-21(19)25(27(17)23)26-22-14-6-4-12-20(22)24-16-8-10-18(2)28(24)26/h3-16,25-26H,1-2H3/q+2.
What are the key properties of 4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium?
4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium has a molecular weight of 362.48 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium is sourced from PubChem (CID 91801370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).