1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene

C163H235N10+7 — CID 158116053

IUPAC1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc[n+]1C.Cc1ccccc1.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H17N2.C17H15N2.3C17H16N.C13H10.C11H13N2.C7H10N.C7H8.19C2H6/c1-14-8-7-10-16-15-9-3-4-11-17(15)21(19(14)16)18-12-5-6-13-20(18)2;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;19*1-2/h3-13H,1-2H3;3-11H,1-2H3;3*3-12H,1-2H3;1-8H,9H2;3-9H,1-2H3;3-6H,1-2H3;2-6H,1H3;19*1-2H3/q5*+1;;2*+1;;;;;;;;;;;;;;;;;;;;
InChIKeyARJIYAWQKOPYJS-UHFFFAOYSA-N
MW2334.74 g/mol
LogP45.39
Rot. Bonds5

About 1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene

1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene (PubChem CID 158116053) has the molecular formula C163H235N10+7 and a molecular weight of 2334.74 g/mol. Its IUPAC name is 1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene.

Molecular Properties

Compound Name1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene
PubChem CID158116053
Molecular FormulaC163H235N10+7
Molecular Weight2334.74 g/mol
Exact Mass2332.87
IUPAC Name1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc[n+]1C.Cc1ccccc1.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H17N2.C17H15N2.3C17H16N.C13H10.C11H13N2.C7H10N.C7H8.19C2H6/c1-14-8-7-10-16-15-9-3-4-11-17(15)21(19(14)16)18-12-5-6-13-20(18)2;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;19*1-2/h3-13H,1-2H3;3-11H,1-2H3;3*3-12H,1-2H3;1-8H,9H2;3-9H,1-2H3;3-6H,1-2H3;2-6H,1H3;19*1-2H3/q5*+1;;2*+1;;;;;;;;;;;;;;;;;;;;
InChIKeyARJIYAWQKOPYJS-UHFFFAOYSA-N
XLogP45.39
TPSA41.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms173
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002334.74
LogP ≤ 545.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene?
The IUPAC name of 1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene (CID 158116053) is 1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene.
What is the SMILES notation for 1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene?
The canonical SMILES for 1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.Cc1cccc[n+]1C.Cc1ccccc1.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene?
The InChIKey is ARJIYAWQKOPYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N2.C17H15N2.3C17H16N.C13H10.C11H13N2.C7H10N.C7H8.19C2H6/c1-14-8-7-10-16-15-9-3-4-11-17(15)21(19(14)16)18-12-5-6-13-20(18)2;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;19*1-2/h3-13H,1-2H3;3-11H,1-2H3;3*3-12H,1-2H3;1-8H,9H2;3-9H,1-2H3;3-6H,1-2H3;2-6H,1H3;19*1-2H3/q5*+1;;2*+1;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene?
1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene has a molecular weight of 2334.74 g/mol, XLogP of 45.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2-dimethylpyridin-1-ium;ethane;9H-fluorene;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;toluene is sourced from PubChem (CID 158116053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).