2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium

C109H122N4+4 — CID 159841272

IUPAC2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium
SMILESCc1cc(-c2c(C)cc(C3CCCCC3)c3c2Cc2ccccc2-3)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2Cc2cc(C4CCCC4)ccc2-3)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2Cc2ccc(C4CCCC4)cc2-3)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2Cc2cccc(C4CCCC4)c2-3)[n+](C)cc1C
InChIInChI=1S/C28H32N.3C27H30N/c1-18-15-26(29(4)17-20(18)3)27-19(2)14-24(21-10-6-5-7-11-21)28-23-13-9-8-12-22(23)16-25(27)28;1-17-12-13-23-24(26(17)25-14-18(2)19(3)16-28(25)4)15-21-10-7-11-22(27(21)23)20-8-5-6-9-20;1-17-9-12-23-24-14-21(20-7-5-6-8-20)10-11-22(24)15-25(23)27(17)26-13-18(2)19(3)16-28(26)4;1-17-9-11-24-23-12-10-21(20-7-5-6-8-20)14-22(23)15-25(24)27(17)26-13-18(2)19(3)16-28(26)4/h8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3;7,10-14,16,20H,5-6,8-9,15H2,1-4H3;2*9-14,16,20H,5-8,15H2,1-4H3/q4*+1
InChIKeyIUIKZQNXLMIEKR-UHFFFAOYSA-N
MW1488.20 g/mol
LogP25.72
Rot. Bonds8

About 2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium

2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium (PubChem CID 159841272) has the molecular formula C109H122N4+4 and a molecular weight of 1488.20 g/mol. Its IUPAC name is 2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium.

Molecular Properties

Compound Name2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium
PubChem CID159841272
Molecular FormulaC109H122N4+4
Molecular Weight1488.20 g/mol
Exact Mass1486.96
IUPAC Name2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium
SMILESCc1cc(-c2c(C)cc(C3CCCCC3)c3c2Cc2ccccc2-3)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2Cc2cc(C4CCCC4)ccc2-3)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2Cc2ccc(C4CCCC4)cc2-3)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2Cc2cccc(C4CCCC4)c2-3)[n+](C)cc1C
InChIInChI=1S/C28H32N.3C27H30N/c1-18-15-26(29(4)17-20(18)3)27-19(2)14-24(21-10-6-5-7-11-21)28-23-13-9-8-12-22(23)16-25(27)28;1-17-12-13-23-24(26(17)25-14-18(2)19(3)16-28(25)4)15-21-10-7-11-22(27(21)23)20-8-5-6-9-20;1-17-9-12-23-24-14-21(20-7-5-6-8-20)10-11-22(24)15-25(23)27(17)26-13-18(2)19(3)16-28(26)4;1-17-9-11-24-23-12-10-21(20-7-5-6-8-20)14-22(23)15-25(24)27(17)26-13-18(2)19(3)16-28(26)4/h8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3;7,10-14,16,20H,5-6,8-9,15H2,1-4H3;2*9-14,16,20H,5-8,15H2,1-4H3/q4*+1
InChIKeyIUIKZQNXLMIEKR-UHFFFAOYSA-N
XLogP25.72
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001488.20
LogP ≤ 525.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium with MolForge

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Launch Full Analysis

Related Compounds

5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium
CID 158316417
4-(4,4-dimethylcyclohexyl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 160606641
1,4-dimethyl-2-(2-methyl-9H-fluoren-1-yl)-5-spiro[5.5]undecan-3-ylpyridin-1-ium
CID 161398966
1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium
CID 158506639
4-(3,3-dimethylspiro[5.5]undecan-9-yl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 158870300
4-[4-(4,4-dimethylcyclohexyl)-2-methylphenyl]-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,5-dimethylpyridin-1-ium;4-[4-(4,4-dimethylcyclohexyl)-2-methylphenyl]-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;2-(2,4-dimethyl-9H-fluoren-1-yl)-4-[4-(2,2-dimethylpropyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;4-[4-(2,2-dimethylpropyl)-2-methylphenyl]-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 162246194
2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium
CID 167365538
5-(4,4-dimethylcyclohexyl)-2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium
CID 159298690
5-(2,5-dimethyl-9H-fluoren-1-yl)-4-methyl-4-azoniatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 160507770
1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium
CID 162171780
2-[6-(2,2-dimethylpropyl)-2-methyl-9H-fluoren-1-yl]-1,4,5-trimethylpyridin-1-ium
CID 158397325
2-cyclobutyl-6,12-dihydroindeno[1,2-b]fluorene
CID 59801079

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium?
The IUPAC name of 2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium (CID 159841272) is 2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium.
What is the SMILES notation for 2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium?
The canonical SMILES for 2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium is Cc1cc(-c2c(C)cc(C3CCCCC3)c3c2Cc2ccccc2-3)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2Cc2cc(C4CCCC4)ccc2-3)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2Cc2ccc(C4CCCC4)cc2-3)[n+](C)cc1C.Cc1cc(-c2c(C)ccc3c2Cc2cccc(C4CCCC4)c2-3)[n+](C)cc1C.
What is the InChIKey of 2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium?
The InChIKey is IUIKZQNXLMIEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N.3C27H30N/c1-18-15-26(29(4)17-20(18)3)27-19(2)14-24(21-10-6-5-7-11-21)28-23-13-9-8-12-22(23)16-25(27)28;1-17-12-13-23-24(26(17)25-14-18(2)19(3)16-28(25)4)15-21-10-7-11-22(27(21)23)20-8-5-6-9-20;1-17-9-12-23-24-14-21(20-7-5-6-8-20)10-11-22(24)15-25(23)27(17)26-13-18(2)19(3)16-28(26)4;1-17-9-11-24-23-12-10-21(20-7-5-6-8-20)14-22(23)15-25(24)27(17)26-13-18(2)19(3)16-28(26)4/h8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3;7,10-14,16,20H,5-6,8-9,15H2,1-4H3;2*9-14,16,20H,5-8,15H2,1-4H3/q4*+1.
What are the key properties of 2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium?
2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium has a molecular weight of 1488.20 g/mol, XLogP of 25.72, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium is sourced from PubChem (CID 159841272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).