1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol

C93H92N8O2S+6 — CID 158716968

IUPAC1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol
SMILESCc1c(-c2cccc[n+]2C)ccc2ccccc12.Cc1cc(CO)oc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-c1cccc(-c2ccccc2)[n+]1C.Cc1ccccc1-c1sc2ccccc2[n+]1C.Cc1ccccc1-n1cc2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C
InChIInChI=1S/C19H18N.C17H16N.C16H16NO2.C15H15N2.C15H14NS.C11H13N2/c1-15-9-6-7-12-17(15)19-14-8-13-18(20(19)2)16-10-4-3-5-11-16;1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2;1-11-9-13(10-18)19-16(11)15-8-7-12-5-3-4-6-14(12)17(15)2;1-12-7-3-5-9-14(12)17-11-13-8-4-6-10-15(13)16(17)2;1-11-7-3-4-8-12(11)15-16(2)13-9-5-6-10-14(13)17-15;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2/h3-14H,1-2H3;3-12H,1-2H3;3-9,18H,10H2,1-2H3;3-11H,1-2H3;3-10H,1-2H3;3-9H,1-2H3/q6*+1
InChIKeyVBEDDMACYMGFAS-UHFFFAOYSA-N
MW1385.88 g/mol
LogP18.59
Rot. Bonds8

About 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol

1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol (PubChem CID 158716968) has the molecular formula C93H92N8O2S+6 and a molecular weight of 1385.88 g/mol. Its IUPAC name is 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol.

Molecular Properties

Compound Name1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol
PubChem CID158716968
Molecular FormulaC93H92N8O2S+6
Molecular Weight1385.88 g/mol
Exact Mass1384.70
IUPAC Name1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol
SMILESCc1c(-c2cccc[n+]2C)ccc2ccccc12.Cc1cc(CO)oc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-c1cccc(-c2ccccc2)[n+]1C.Cc1ccccc1-c1sc2ccccc2[n+]1C.Cc1ccccc1-n1cc2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C
InChIInChI=1S/C19H18N.C17H16N.C16H16NO2.C15H15N2.C15H14NS.C11H13N2/c1-15-9-6-7-12-17(15)19-14-8-13-18(20(19)2)16-10-4-3-5-11-16;1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2;1-11-9-13(10-18)19-16(11)15-8-7-12-5-3-4-6-14(12)17(15)2;1-12-7-3-5-9-14(12)17-11-13-8-4-6-10-15(13)16(17)2;1-11-7-3-4-8-12(11)15-16(2)13-9-5-6-10-14(13)17-15;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2/h3-14H,1-2H3;3-12H,1-2H3;3-9,18H,10H2,1-2H3;3-11H,1-2H3;3-10H,1-2H3;3-9H,1-2H3/q6*+1
InChIKeyVBEDDMACYMGFAS-UHFFFAOYSA-N
XLogP18.59
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001385.88
LogP ≤ 518.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol with MolForge

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Related Compounds

2-(3,5-Difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol
CID 159148162
1-Methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-carbaldehyde
CID 160569316
2-(3,5-Difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol
CID 161923707
2-[3,8-Di(quinolin-2-yl)pyren-1-yl]-1,3-benzoxazole;2-pyren-1-yl-1,3-benzothiazole;2-(6-pyridin-2-ylpyren-1-yl)-1,3-benzoxazole;2-[3,6,8-tris(1,3-benzoxazol-2-yl)pyren-1-yl]-1,3-benzoxazole
CID 162009747
1-(1,3-Benzothiazol-2-yl)-1-(furan-2-yl)but-3-en-1-ol;1-(1,3-benzothiazol-2-yl)-1-naphthalen-1-ylbut-3-en-1-ol;1-(1,3-benzothiazol-2-yl)-1-pyridin-3-ylbut-3-en-1-ol
CID 162054725
[3-(1,3-Benzothiazol-2-ylmethoxy)-5-(piperidine-1-carbonyl)isoquinolin-7-yl]-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 166849577
[3-(1,3-Benzothiazol-2-ylmethoxy)-5-[hydroxy(piperidin-1-yl)methyl]isoquinolin-7-yl]-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 169916693

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol?
The IUPAC name of 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol (CID 158716968) is 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol.
What is the SMILES notation for 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol?
The canonical SMILES for 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol is Cc1c(-c2cccc[n+]2C)ccc2ccccc12.Cc1cc(CO)oc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-c1cccc(-c2ccccc2)[n+]1C.Cc1ccccc1-c1sc2ccccc2[n+]1C.Cc1ccccc1-n1cc2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C.
What is the InChIKey of 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol?
The InChIKey is VBEDDMACYMGFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N.C17H16N.C16H16NO2.C15H15N2.C15H14NS.C11H13N2/c1-15-9-6-7-12-17(15)19-14-8-13-18(20(19)2)16-10-4-3-5-11-16;1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2;1-11-9-13(10-18)19-16(11)15-8-7-12-5-3-4-6-14(12)17(15)2;1-12-7-3-5-9-14(12)17-11-13-8-4-6-10-15(13)16(17)2;1-11-7-3-4-8-12(11)15-16(2)13-9-5-6-10-14(13)17-15;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2/h3-14H,1-2H3;3-12H,1-2H3;3-9,18H,10H2,1-2H3;3-11H,1-2H3;3-10H,1-2H3;3-9H,1-2H3/q6*+1.
What are the key properties of 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol?
1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol has a molecular weight of 1385.88 g/mol, XLogP of 18.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;3-methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;1-methyl-2-(2-methylphenyl)indazol-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol is sourced from PubChem (CID 158716968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).