3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium

C156H126F2N8O2+4 — CID 160656237

IUPAC3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
SMILESCOc1ccc(-c2c[n+](C)c(-c3ccc(OC)cc3C)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)n2)cc1.Cc1cc(F)ccc1-c1c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)nc(-c2ccc(F)cc2)c[n+]1C.Cc1ccc(-c2c[n+](C)c(-c3ccc(C)cc3C)c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.Cc1ccccc1-c1c(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc(-c2ccccc2)c[n+]1C
InChIInChI=1S/C45H35N2.C43H31N2.C35H33N2O2.C33H27F2N2/c1-28-17-20-31(21-18-28)42-27-47(4)44(33-23-19-29(2)25-30(33)3)43(46-42)32-22-24-37-36-13-7-10-16-40(36)45(41(37)26-32)38-14-8-5-11-34(38)35-12-6-9-15-39(35)45;1-28-14-6-7-17-31(28)42-41(44-40(27-45(42)2)29-15-4-3-5-16-29)30-24-25-35-34-20-10-13-23-38(34)43(39(35)26-30)36-21-11-8-18-32(36)33-19-9-12-22-37(33)43;1-22-19-26(39-6)16-18-27(22)34-33(36-32(21-37(34)4)23-11-14-25(38-5)15-12-23)24-13-17-29-28-9-7-8-10-30(28)35(2,3)31(29)20-24;1-20-17-24(35)14-16-25(20)32-31(36-30(19-37(32)4)21-9-12-23(34)13-10-21)22-11-15-27-26-7-5-6-8-28(26)33(2,3)29(27)18-22/h5-27H,1-4H3;3-27H,1-2H3;7-21H,1-6H3;5-19H,1-4H3/q4*+1
InChIKeyGZKVAFHBRYYGMV-UHFFFAOYSA-N
MW2182.77 g/mol
LogP35.07
Rot. Bonds14

About 3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium

3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium (PubChem CID 160656237) has the molecular formula C156H126F2N8O2+4 and a molecular weight of 2182.77 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
PubChem CID160656237
Molecular FormulaC156H126F2N8O2+4
Molecular Weight2182.77 g/mol
Exact Mass2180.99
IUPAC Name3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
SMILESCOc1ccc(-c2c[n+](C)c(-c3ccc(OC)cc3C)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)n2)cc1.Cc1cc(F)ccc1-c1c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)nc(-c2ccc(F)cc2)c[n+]1C.Cc1ccc(-c2c[n+](C)c(-c3ccc(C)cc3C)c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.Cc1ccccc1-c1c(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc(-c2ccccc2)c[n+]1C
InChIInChI=1S/C45H35N2.C43H31N2.C35H33N2O2.C33H27F2N2/c1-28-17-20-31(21-18-28)42-27-47(4)44(33-23-19-29(2)25-30(33)3)43(46-42)32-22-24-37-36-13-7-10-16-40(36)45(41(37)26-32)38-14-8-5-11-34(38)35-12-6-9-15-39(35)45;1-28-14-6-7-17-31(28)42-41(44-40(27-45(42)2)29-15-4-3-5-16-29)30-24-25-35-34-20-10-13-23-38(34)43(39(35)26-30)36-21-11-8-18-32(36)33-19-9-12-22-37(33)43;1-22-19-26(39-6)16-18-27(22)34-33(36-32(21-37(34)4)23-11-14-25(38-5)15-12-23)24-13-17-29-28-9-7-8-10-30(28)35(2,3)31(29)20-24;1-20-17-24(35)14-16-25(20)32-31(36-30(19-37(32)4)21-9-12-23(34)13-10-21)22-11-15-27-26-7-5-6-8-28(26)33(2,3)29(27)18-22/h5-27H,1-4H3;3-27H,1-2H3;7-21H,1-6H3;5-19H,1-4H3/q4*+1
InChIKeyGZKVAFHBRYYGMV-UHFFFAOYSA-N
XLogP35.07
TPSA85.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002182.77
LogP ≤ 535.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium with MolForge

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Related Compounds

5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-naphthalen-2-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(2-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(4-phenylphenyl)pyrazin-1-ium
CID 158376889
1,3-dimethyl-2-(2-methylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
CID 58991322
3-(3,5-difluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3,5-diphenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)-5-phenylpyrazin-1-ium;1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazin-1-ium;3-(4-fluorophenyl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium;1-methyl-2-(2-methylphenyl)-3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
CID 160771770
2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1-methyl-5-(3-phenylphenyl)pyrazin-1-ium
CID 58991444
5-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-naphthalen-1-ylpyrazin-1-ium;2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-1,6-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium
CID 157205318
5-(3,5-difluorophenyl)-1-methyl-2-(2-methylphenyl)-3-phenylpyrazin-1-ium
CID 58991387
3-(9,9-dimethylfluoren-2-yl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium
CID 58991398
2-(9,9-dimethylfluoren-2-yl)-7-[6-(6-methoxynaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 90394242
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine
CID 138617958
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine
CID 153302578
4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine;2,6-diphenyl-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-2-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 161455672

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium?
The IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium (CID 160656237) is 3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium.
What is the SMILES notation for 3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium?
The canonical SMILES for 3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium is COc1ccc(-c2c[n+](C)c(-c3ccc(OC)cc3C)c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)n2)cc1.Cc1cc(F)ccc1-c1c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)nc(-c2ccc(F)cc2)c[n+]1C.Cc1ccc(-c2c[n+](C)c(-c3ccc(C)cc3C)c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.Cc1ccccc1-c1c(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc(-c2ccccc2)c[n+]1C.
What is the InChIKey of 3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium?
The InChIKey is GZKVAFHBRYYGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N2.C43H31N2.C35H33N2O2.C33H27F2N2/c1-28-17-20-31(21-18-28)42-27-47(4)44(33-23-19-29(2)25-30(33)3)43(46-42)32-22-24-37-36-13-7-10-16-40(36)45(41(37)26-32)38-14-8-5-11-34(38)35-12-6-9-15-39(35)45;1-28-14-6-7-17-31(28)42-41(44-40(27-45(42)2)29-15-4-3-5-16-29)30-24-25-35-34-20-10-13-23-38(34)43(39(35)26-30)36-21-11-8-18-32(36)33-19-9-12-22-37(33)43;1-22-19-26(39-6)16-18-27(22)34-33(36-32(21-37(34)4)23-11-14-25(38-5)15-12-23)24-13-17-29-28-9-7-8-10-30(28)35(2,3)31(29)20-24;1-20-17-24(35)14-16-25(20)32-31(36-30(19-37(32)4)21-9-12-23(34)13-10-21)22-11-15-27-26-7-5-6-8-28(26)33(2,3)29(27)18-22/h5-27H,1-4H3;3-27H,1-2H3;7-21H,1-6H3;5-19H,1-4H3/q4*+1.
What are the key properties of 3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium?
3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium has a molecular weight of 2182.77 g/mol, XLogP of 35.07, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-2-yl)-2-(4-fluoro-2-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazin-1-ium;3-(9,9-dimethylfluoren-2-yl)-2-(4-methoxy-2-methylphenyl)-5-(4-methoxyphenyl)-1-methylpyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(4-methylphenyl)-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;1-methyl-2-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium is sourced from PubChem (CID 160656237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).