bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine

C84H80FN6+3 — CID 161473059

IUPACbis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine
SMILESCc1cc(-c2cc3c(cc2C)-c2cccnc2C3(C)C)[n+](C)cc1-c1ccc(F)cc1.Cc1cc(-c2cc3c(cc2C)-c2cccnc2C3(C)C)[n+](C)cc1-c1ccccc1.Cc1cc(-c2cc3c(cc2C)-c2cccnc2C3(C)C)[n+](C)cc1-c1ccccc1
InChIInChI=1S/C28H26FN2.2C28H27N2/c1-17-13-23-21-7-6-12-30-27(21)28(3,4)25(23)15-22(17)26-14-18(2)24(16-31(26)5)19-8-10-20(29)11-9-19;2*1-18-14-23-21-12-9-13-29-27(21)28(3,4)25(23)16-22(18)26-15-19(2)24(17-30(26)5)20-10-7-6-8-11-20/h6-16H,1-5H3;2*6-17H,1-5H3/q3*+1
InChIKeyHMMZMCXGJYFKPE-UHFFFAOYSA-N
MW1192.60 g/mol
LogP18.63
Rot. Bonds6

About bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine

bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine (PubChem CID 161473059) has the molecular formula C84H80FN6+3 and a molecular weight of 1192.60 g/mol. Its IUPAC name is bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine.

Molecular Properties

Compound Namebis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine
PubChem CID161473059
Molecular FormulaC84H80FN6+3
Molecular Weight1192.60 g/mol
Exact Mass1191.64
IUPAC Namebis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine
SMILESCc1cc(-c2cc3c(cc2C)-c2cccnc2C3(C)C)[n+](C)cc1-c1ccc(F)cc1.Cc1cc(-c2cc3c(cc2C)-c2cccnc2C3(C)C)[n+](C)cc1-c1ccccc1.Cc1cc(-c2cc3c(cc2C)-c2cccnc2C3(C)C)[n+](C)cc1-c1ccccc1
InChIInChI=1S/C28H26FN2.2C28H27N2/c1-17-13-23-21-7-6-12-30-27(21)28(3,4)25(23)15-22(17)26-14-18(2)24(16-31(26)5)19-8-10-20(29)11-9-19;2*1-18-14-23-21-12-9-13-29-27(21)28(3,4)25(23)16-22(18)26-15-19(2)24(17-30(26)5)20-10-7-6-8-11-20/h6-16H,1-5H3;2*6-17H,1-5H3/q3*+1
InChIKeyHMMZMCXGJYFKPE-UHFFFAOYSA-N
XLogP18.63
TPSA50.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001192.60
LogP ≤ 518.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine with MolForge

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Related Compounds

7-[5-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine;6,9,9-trimethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;6,9,9-trimethyl-7-[1-methyl-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium-2-yl]indeno[2,1-b]pyridine
CID 161198205
6,9,9-trimethyl-7-(1-methyl-4-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine
CID 123974554
7,9,9-trimethyl-6-(2-methylisoquinolin-2-ium-3-yl)indeno[2,1-b]pyridine
CID 123908447
7'-[4-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6'-methylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-[1-methyl-4-(4-methylphenyl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];6'-methyl-7'-(1-methyl-4-phenylpyridin-1-ium-2-yl)spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine]
CID 158773339
tris(8-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-2,7,9,9-tetramethylindeno[2,1-b]pyridine);8-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7,9,9-tetramethylindeno[2,1-b]pyridine
CID 159723170
2,6,9,9-tetramethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;bis(2,6,9,9-tetramethyl-7-(1-methyl-5-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine)
CID 157475041
2,6,9,9-tetramethyl-7-(1,4,5-trimethylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine
CID 123306347
1,4-dimethyl-2-(2-methyl-4-phenylphenyl)-5-(9,9,10,10-tetramethylanthracen-2-yl)pyridin-1-ium
CID 140869290
2-(4-tert-butyl-2-methylphenyl)-1,4-dimethyl-5-phenylpyridin-1-ium
CID 167357881
3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene
CID 59782340
1,4-dimethyl-2-(2,5,5,6,6-pentamethylbenzo[a]anthracen-3-yl)-5-[2-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 161114875
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639

Frequently Asked Questions

What is the IUPAC name of bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine?
The IUPAC name of bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine (CID 161473059) is bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine.
What is the SMILES notation for bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine?
The canonical SMILES for bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine is Cc1cc(-c2cc3c(cc2C)-c2cccnc2C3(C)C)[n+](C)cc1-c1ccc(F)cc1.Cc1cc(-c2cc3c(cc2C)-c2cccnc2C3(C)C)[n+](C)cc1-c1ccccc1.Cc1cc(-c2cc3c(cc2C)-c2cccnc2C3(C)C)[n+](C)cc1-c1ccccc1.
What is the InChIKey of bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine?
The InChIKey is HMMZMCXGJYFKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN2.2C28H27N2/c1-17-13-23-21-7-6-12-30-27(21)28(3,4)25(23)15-22(17)26-14-18(2)24(16-31(26)5)19-8-10-20(29)11-9-19;2*1-18-14-23-21-12-9-13-29-27(21)28(3,4)25(23)16-22(18)26-15-19(2)24(17-30(26)5)20-10-7-6-8-11-20/h6-16H,1-5H3;2*6-17H,1-5H3/q3*+1.
What are the key properties of bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine?
bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine has a molecular weight of 1192.60 g/mol, XLogP of 18.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)-6,9,9-trimethylindeno[2,1-b]pyridine);7-[5-(4-fluorophenyl)-1,4-dimethylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine is sourced from PubChem (CID 161473059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).