1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium

C94H94N6OS+6 — CID 158686731

IUPAC1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)CCCC2.Cc1ccc2ccccc2c1-c1cccc[n+]1C.Cc1cccc2ccc3ccc[n+](C)c3c12.Cc1ccccc1-c1cc(-c2ccccc2)cc[n+]1C.Cc1occc1-c1cccc[n+]1C.Cc1sc2ccccc2c1-c1cccc[n+]1C
InChIInChI=1S/C19H18N.C17H16N.C17H20N.C15H14NS.C15H14N.C11H12NO/c1-15-8-6-7-11-18(15)19-14-17(12-13-20(19)2)16-9-4-3-5-10-16;1-13-10-11-14-7-3-4-8-15(14)17(13)16-9-5-6-12-18(16)2;1-13-11-14-7-3-4-8-15(14)12-16(13)17-9-5-6-10-18(17)2;1-11-15(13-8-5-6-10-16(13)2)12-7-3-4-9-14(12)17-11;1-11-5-3-6-12-8-9-13-7-4-10-16(2)15(13)14(11)12;1-9-10(6-8-13-9)11-5-3-4-7-12(11)2/h3-14H,1-2H3;3-12H,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3/q6*+1
InChIKeyNZAFEZNQBOOJRO-UHFFFAOYSA-N
MW1355.89 g/mol
LogP20.07
Rot. Bonds6

About 1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium

1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium (PubChem CID 158686731) has the molecular formula C94H94N6OS+6 and a molecular weight of 1355.89 g/mol. Its IUPAC name is 1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
PubChem CID158686731
Molecular FormulaC94H94N6OS+6
Molecular Weight1355.89 g/mol
Exact Mass1354.72
IUPAC Name1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)CCCC2.Cc1ccc2ccccc2c1-c1cccc[n+]1C.Cc1cccc2ccc3ccc[n+](C)c3c12.Cc1ccccc1-c1cc(-c2ccccc2)cc[n+]1C.Cc1occc1-c1cccc[n+]1C.Cc1sc2ccccc2c1-c1cccc[n+]1C
InChIInChI=1S/C19H18N.C17H16N.C17H20N.C15H14NS.C15H14N.C11H12NO/c1-15-8-6-7-11-18(15)19-14-17(12-13-20(19)2)16-9-4-3-5-10-16;1-13-10-11-14-7-3-4-8-15(14)17(13)16-9-5-6-12-18(16)2;1-13-11-14-7-3-4-8-15(14)12-16(13)17-9-5-6-10-18(17)2;1-11-15(13-8-5-6-10-16(13)2)12-7-3-4-9-14(12)17-11;1-11-5-3-6-12-8-9-13-7-4-10-16(2)15(13)14(11)12;1-9-10(6-8-13-9)11-5-3-4-7-12(11)2/h3-14H,1-2H3;3-12H,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3/q6*+1
InChIKeyNZAFEZNQBOOJRO-UHFFFAOYSA-N
XLogP20.07
TPSA36.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001355.89
LogP ≤ 520.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 157295675
1-(7-Tert-butyl-8-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3-methyl-1-benzothiophen-2-yl)isoquinolin-2-ium
CID 169033846
2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
CID 53698269
2-[8-(Furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline
CID 54326698
N-[4-(5-dibenzofuran-4-yl-2-pyridinyl)phenyl]-N-(4-pyridin-2-ylphenyl)dibenzothiophen-4-amine
CID 68230894
N-(4-dibenzofuran-4-ylphenyl)-N-[6-[2-[(1Z,3Z)-penta-1,3-dienyl]-1-benzothiophen-5-yl]-3-pyridinyl]quinolin-8-amine
CID 88899026
11-(3-Dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417085
7-(3-Dibenzofuran-4-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417103
N-(4-dibenzofuran-4-ylphenyl)-N-(6-dibenzothiophen-2-yl-3-pyridinyl)quinolin-8-amine
CID 89531511
7-[5-[2-[7-[2-[4-(7aH-indol-3-yl)naphthalen-1-yl]ethenyl]-9-(3-methylbutan-2-yl)dibenzothiophen-3-yl]ethenyl]-8-indol-1-ium-3-yl-3-methyl-3,4-dihydronaphthalen-1-yl]-1-[4-[2-[7-[2-[4-(2-methyl-3H-isoquinolin-1-yl)phenyl]ethenyl]dibenzofuran-3-yl]ethenyl]phenyl]isoquinoline
CID 91803545
12-Dibenzothiophen-4-yl-7-phenyl-23-oxa-7-azahexacyclo[11.11.0.02,10.04,8.016,24.017,22]tetracosa-1,3,5,8,10,12,14,16(24),17,19,21-undecaene
CID 117878432
2-Dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine
CID 118477892

Frequently Asked Questions

What is the IUPAC name of 1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium?
The IUPAC name of 1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium (CID 158686731) is 1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium.
What is the SMILES notation for 1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium?
The canonical SMILES for 1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium is Cc1cc2c(cc1-c1cccc[n+]1C)CCCC2.Cc1ccc2ccccc2c1-c1cccc[n+]1C.Cc1cccc2ccc3ccc[n+](C)c3c12.Cc1ccccc1-c1cc(-c2ccccc2)cc[n+]1C.Cc1occc1-c1cccc[n+]1C.Cc1sc2ccccc2c1-c1cccc[n+]1C.
What is the InChIKey of 1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium?
The InChIKey is NZAFEZNQBOOJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N.C17H16N.C17H20N.C15H14NS.C15H14N.C11H12NO/c1-15-8-6-7-11-18(15)19-14-17(12-13-20(19)2)16-9-4-3-5-10-16;1-13-10-11-14-7-3-4-8-15(14)17(13)16-9-5-6-12-18(16)2;1-13-11-14-7-3-4-8-15(14)12-16(13)17-9-5-6-10-18(17)2;1-11-15(13-8-5-6-10-16(13)2)12-7-3-4-9-14(12)17-11;1-11-5-3-6-12-8-9-13-7-4-10-16(2)15(13)14(11)12;1-9-10(6-8-13-9)11-5-3-4-7-12(11)2/h3-14H,1-2H3;3-12H,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3/q6*+1.
What are the key properties of 1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium?
1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium has a molecular weight of 1355.89 g/mol, XLogP of 20.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium is sourced from PubChem (CID 158686731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).