ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium

C108H160N4+4 — CID 159448244

IUPACethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2c(cc1-c1cccc[n+]1C)-c1ccccc1C2.Cc1cc2c(cc1-c1cccc[n+]1C)Cc1ccccc1-2.Cc1ccc2c(c1-c1cccc[n+]1C)-c1ccccc1C2.Cc1ccc2c(c1-c1cccc[n+]1C)Cc1ccccc1-2
InChIInChI=1S/4C20H18N.12C2H6.4CH4/c1-14-10-11-16-13-15-7-3-4-8-17(15)20(16)19(14)18-9-5-6-12-21(18)2;1-14-10-11-17-16-8-4-3-7-15(16)13-18(17)20(14)19-9-5-6-12-21(19)2;1-14-11-19-16(12-15-7-3-4-8-17(15)19)13-18(14)20-9-5-6-10-21(20)2;1-14-11-16-12-15-7-3-4-8-17(15)19(16)13-18(14)20-9-5-6-10-21(20)2;12*1-2;;;;/h2*3-12H,13H2,1-2H3;2*3-11,13H,12H2,1-2H3;12*1-2H3;4*1H4/q4*+1;;;;;;;;;;;;;;;;
InChIKeyYWKBMVNHOGXCMU-UHFFFAOYSA-N
MW1514.50 g/mol
LogP31.09
Rot. Bonds4

About ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium

ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium (PubChem CID 159448244) has the molecular formula C108H160N4+4 and a molecular weight of 1514.50 g/mol. Its IUPAC name is ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium.

Molecular Properties

Compound Nameethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium
PubChem CID159448244
Molecular FormulaC108H160N4+4
Molecular Weight1514.50 g/mol
Exact Mass1513.26
IUPAC Nameethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2c(cc1-c1cccc[n+]1C)-c1ccccc1C2.Cc1cc2c(cc1-c1cccc[n+]1C)Cc1ccccc1-2.Cc1ccc2c(c1-c1cccc[n+]1C)-c1ccccc1C2.Cc1ccc2c(c1-c1cccc[n+]1C)Cc1ccccc1-2
InChIInChI=1S/4C20H18N.12C2H6.4CH4/c1-14-10-11-16-13-15-7-3-4-8-17(15)20(16)19(14)18-9-5-6-12-21(18)2;1-14-10-11-17-16-8-4-3-7-15(16)13-18(17)20(14)19-9-5-6-12-21(19)2;1-14-11-19-16(12-15-7-3-4-8-17(15)19)13-18(14)20-9-5-6-10-21(20)2;1-14-11-16-12-15-7-3-4-8-17(15)19(16)13-18(14)20-9-5-6-10-21(20)2;12*1-2;;;;/h2*3-12H,13H2,1-2H3;2*3-11,13H,12H2,1-2H3;12*1-2H3;4*1H4/q4*+1;;;;;;;;;;;;;;;;
InChIKeyYWKBMVNHOGXCMU-UHFFFAOYSA-N
XLogP31.09
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001514.50
LogP ≤ 531.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium with MolForge

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Related Compounds

ethane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 161214626
bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane
CID 160769436
1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene
CID 159443497
bis(1,2-dimethyl-9H-fluorene);bis(2,3-dimethyl-9H-fluorene);3,4-dimethyl-9H-fluorene
CID 163707739
carbanide;tetrakis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);10,12-dihydroindeno[2,1-b]fluorene;ethane;propane;(yttrium)
CID 157436850
2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium
CID 158693695
ethane;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
CID 158481400
4-(4,4-dimethylcyclohexyl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 160606641
10-methyl-7,12-dihydroindeno[1,2-a]fluorene
CID 161385302
1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
CID 170685494
4-(3,3-dimethylspiro[5.5]undecan-9-yl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 158870300
11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;9H-fluorene;7,8,9,10,11,12-hexahydroindeno[1,2-a]fluorene;pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158453722

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium?
The IUPAC name of ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium (CID 159448244) is ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium.
What is the SMILES notation for ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium?
The canonical SMILES for ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium is C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2c(cc1-c1cccc[n+]1C)-c1ccccc1C2.Cc1cc2c(cc1-c1cccc[n+]1C)Cc1ccccc1-2.Cc1ccc2c(c1-c1cccc[n+]1C)-c1ccccc1C2.Cc1ccc2c(c1-c1cccc[n+]1C)Cc1ccccc1-2.
What is the InChIKey of ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium?
The InChIKey is YWKBMVNHOGXCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H18N.12C2H6.4CH4/c1-14-10-11-16-13-15-7-3-4-8-17(15)20(16)19(14)18-9-5-6-12-21(18)2;1-14-10-11-17-16-8-4-3-7-15(16)13-18(17)20(14)19-9-5-6-12-21(19)2;1-14-11-19-16(12-15-7-3-4-8-17(15)19)13-18(14)20-9-5-6-10-21(20)2;1-14-11-16-12-15-7-3-4-8-17(15)19(16)13-18(14)20-9-5-6-10-21(20)2;12*1-2;;;;/h2*3-12H,13H2,1-2H3;2*3-11,13H,12H2,1-2H3;12*1-2H3;4*1H4/q4*+1;;;;;;;;;;;;;;;;.
What are the key properties of ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium?
ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium has a molecular weight of 1514.50 g/mol, XLogP of 31.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium is sourced from PubChem (CID 159448244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).