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

C107H83F6N6+3 — CID 157205318

IUPAC5-(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
SMILESCc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(C)[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c(C)[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2cccc3ccccc23)c(C)[n+]1C
InChIInChI=1S/C44H31F2N2.C34H29F2N2.C29H23F2N2/c1-26-24-31(46)21-23-32(26)43-42(28-16-19-30(45)20-17-28)47-41(27(2)48(43)3)29-18-22-36-35-12-6-9-15-39(35)44(40(36)25-29)37-13-7-4-10-33(37)34-11-5-8-14-38(34)44;1-20-18-25(36)15-17-26(20)33-32(22-10-13-24(35)14-11-22)37-31(21(2)38(33)5)23-12-16-28-27-8-6-7-9-29(27)34(3,4)30(28)19-23;1-18-17-23(31)15-16-24(18)29-28(21-11-13-22(30)14-12-21)32-27(19(2)33(29)3)26-10-6-8-20-7-4-5-9-25(20)26/h4-25H,1-3H3;6-19H,1-5H3;4-17H,1-3H3/q3*+1
InChIKeyHBUPGIKXQMROIU-UHFFFAOYSA-N
MW1566.87 g/mol
LogP25.21
Rot. Bonds9

About 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

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 (PubChem CID 157205318) has the molecular formula C107H83F6N6+3 and a molecular weight of 1566.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID157205318
Molecular FormulaC107H83F6N6+3
Molecular Weight1566.87 g/mol
Exact Mass1565.66
IUPAC Name5-(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
SMILESCc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(C)[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c(C)[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2cccc3ccccc23)c(C)[n+]1C
InChIInChI=1S/C44H31F2N2.C34H29F2N2.C29H23F2N2/c1-26-24-31(46)21-23-32(26)43-42(28-16-19-30(45)20-17-28)47-41(27(2)48(43)3)29-18-22-36-35-12-6-9-15-39(35)44(40(36)25-29)37-13-7-4-10-33(37)34-11-5-8-14-38(34)44;1-20-18-25(36)15-17-26(20)33-32(22-10-13-24(35)14-11-22)37-31(21(2)38(33)5)23-12-16-28-27-8-6-7-9-29(27)34(3,4)30(28)19-23;1-18-17-23(31)15-16-24(18)29-28(21-11-13-22(30)14-12-21)32-27(19(2)33(29)3)26-10-6-8-20-7-4-5-9-25(20)26/h4-25H,1-3H3;6-19H,1-5H3;4-17H,1-3H3/q3*+1
InChIKeyHBUPGIKXQMROIU-UHFFFAOYSA-N
XLogP25.21
TPSA50.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001566.87
LogP ≤ 525.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-(9,9-dimethylfluoren-2-yl)-1,2-dimethyl-6-(2-methylphenyl)-5-phenylpyrazin-1-ium
CID 58991398
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
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
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-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
1,9,9-trimethyl-7-naphthalen-1-ylfluorene
CID 156896552
1,2-dimethyl-6-(2-methylphenyl)-5-phenyl-3-(3-phenylphenyl)pyrazin-1-ium
CID 58991449
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
6,12-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylchrysene
CID 58511709
1,2-dimethyl-6-(2-methylphenyl)-3-(3-methylphenyl)-5-phenylpyrazin-1-ium
CID 58991414
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(C)[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c(C)[n+]1C.Cc1cc(F)ccc1-c1c(-c2ccc(F)cc2)nc(-c2cccc3ccccc23)c(C)[n+]1C.
What is the InChIKey of 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?
The InChIKey is HBUPGIKXQMROIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31F2N2.C34H29F2N2.C29H23F2N2/c1-26-24-31(46)21-23-32(26)43-42(28-16-19-30(45)20-17-28)47-41(27(2)48(43)3)29-18-22-36-35-12-6-9-15-39(35)44(40(36)25-29)37-13-7-4-10-33(37)34-11-5-8-14-38(34)44;1-20-18-25(36)15-17-26(20)33-32(22-10-13-24(35)14-11-22)37-31(21(2)38(33)5)23-12-16-28-27-8-6-7-9-29(27)34(3,4)30(28)19-23;1-18-17-23(31)15-16-24(18)29-28(21-11-13-22(30)14-12-21)32-27(19(2)33(29)3)26-10-6-8-20-7-4-5-9-25(20)26/h4-25H,1-3H3;6-19H,1-5H3;4-17H,1-3H3/q3*+1.
What are the key properties of 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?
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 has a molecular weight of 1566.87 g/mol, XLogP of 25.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157205318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).