1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium

C108H142N19+7 — CID 157059611

IUPAC1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium
SMILESC.C.C.C.C.C.C.Cc1cccc2c3ccccc3n3cc[n+](C)c3c12.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cccc2C)c2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C.Cn1nccc1-c1cccc[n+]1C.Cn1nccc1-n1ccc[n+]1C.Cn1ncnc1-c1cccc[n+]1C
InChIInChI=1S/C23H23N2.C23H29N2.C17H15N2.C11H13N2.C10H12N3.C9H11N4.C8H11N4.7CH4/c1-16-10-5-6-13-19(16)23-24(4)20-14-7-8-15-21(20)25(23)22-17(2)11-9-12-18(22)3;1-16(2)19-12-9-13-20(17(3)4)22(19)25-15-14-24(6)23(25)21-11-8-7-10-18(21)5;1-12-6-5-8-14-13-7-3-4-9-15(13)19-11-10-18(2)17(19)16(12)14;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;1-12-8-4-3-5-9(12)10-6-7-11-13(10)2;1-12-6-4-3-5-8(12)9-10-7-11-13(9)2;1-10-6-3-7-12(10)8-4-5-9-11(8)2;;;;;;;/h5-15H,1-4H3;7-17H,1-6H3;3-11H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;7*1H4/q7*+1;;;;;;;
InChIKeyXGBXJASHNRAVGN-UHFFFAOYSA-N
MW1706.46 g/mol
LogP21.27
Rot. Bonds10

About 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium

1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium (PubChem CID 157059611) has the molecular formula C108H142N19+7 and a molecular weight of 1706.46 g/mol. Its IUPAC name is 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium.

Molecular Properties

Compound Name1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium
PubChem CID157059611
Molecular FormulaC108H142N19+7
Molecular Weight1706.46 g/mol
Exact Mass1705.17
IUPAC Name1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium
SMILESC.C.C.C.C.C.C.Cc1cccc2c3ccccc3n3cc[n+](C)c3c12.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cccc2C)c2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C.Cn1nccc1-c1cccc[n+]1C.Cn1nccc1-n1ccc[n+]1C.Cn1ncnc1-c1cccc[n+]1C
InChIInChI=1S/C23H23N2.C23H29N2.C17H15N2.C11H13N2.C10H12N3.C9H11N4.C8H11N4.7CH4/c1-16-10-5-6-13-19(16)23-24(4)20-14-7-8-15-21(20)25(23)22-17(2)11-9-12-18(22)3;1-16(2)19-12-9-13-20(17(3)4)22(19)25-15-14-24(6)23(25)21-11-8-7-10-18(21)5;1-12-6-5-8-14-13-7-3-4-9-15(13)19-11-10-18(2)17(19)16(12)14;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;1-12-8-4-3-5-9(12)10-6-7-11-13(10)2;1-12-6-4-3-5-8(12)9-10-7-11-13(9)2;1-10-6-3-7-12(10)8-4-5-9-11(8)2;;;;;;;/h5-15H,1-4H3;7-17H,1-6H3;3-11H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;7*1H4/q7*+1;;;;;;;
InChIKeyXGBXJASHNRAVGN-UHFFFAOYSA-N
XLogP21.27
TPSA117.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001706.46
LogP ≤ 521.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium with MolForge

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Related Compounds

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6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
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7-Fluoro-3-(1-methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
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3-(1-Methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
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5,7-Difluoro-3-(1-methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
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9-phenyl-8-(4-((4-(4-(pyridin-2-yl)-1H-imidazol-1-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium?
The IUPAC name of 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium (CID 157059611) is 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium.
What is the SMILES notation for 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium?
The canonical SMILES for 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium is C.C.C.C.C.C.C.Cc1cccc2c3ccccc3n3cc[n+](C)c3c12.Cc1ccccc1-c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C)cccc2C)c2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C.Cn1nccc1-c1cccc[n+]1C.Cn1nccc1-n1ccc[n+]1C.Cn1ncnc1-c1cccc[n+]1C.
What is the InChIKey of 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium?
The InChIKey is XGBXJASHNRAVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N2.C23H29N2.C17H15N2.C11H13N2.C10H12N3.C9H11N4.C8H11N4.7CH4/c1-16-10-5-6-13-19(16)23-24(4)20-14-7-8-15-21(20)25(23)22-17(2)11-9-12-18(22)3;1-16(2)19-12-9-13-20(17(3)4)22(19)25-15-14-24(6)23(25)21-11-8-7-10-18(21)5;1-12-6-5-8-14-13-7-3-4-9-15(13)19-11-10-18(2)17(19)16(12)14;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;1-12-8-4-3-5-9(12)10-6-7-11-13(10)2;1-12-6-4-3-5-8(12)9-10-7-11-13(9)2;1-10-6-3-7-12(10)8-4-5-9-11(8)2;;;;;;;/h5-15H,1-4H3;7-17H,1-6H3;3-11H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;7*1H4/q7*+1;;;;;;;.
What are the key properties of 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium?
1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium has a molecular weight of 1706.46 g/mol, XLogP of 21.27, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;methane;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-5-(2-methylpyrazol-2-ium-1-yl)pyrazole;1-methyl-2-(2-methylpyrazol-3-yl)pyridin-1-ium;1-methyl-2-(2-methyl-1,2,4-triazol-3-yl)pyridin-1-ium is sourced from PubChem (CID 157059611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).