ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium

C125H150N5+5 — CID 159518590

IUPACethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c(-c2cccc[n+]2C)ccc2ccc3ccccc3c12.Cc1cc2c(ccc3ccccc32)cc1-c1cccc[n+]1C.Cc1cc2cc3ccccc3cc2cc1-c1cccc[n+]1C.Cc1cc2ccc3ccccc3c2cc1-c1cccc[n+]1C.Cc1ccc2ccc3ccccc3c2c1-c1cccc[n+]1C
InChIInChI=1S/5C21H18N.10C2H6/c1-15-18(20-9-5-6-14-22(20)2)13-12-17-11-10-16-7-3-4-8-19(16)21(15)17;1-15-10-11-17-13-12-16-7-3-4-8-18(16)21(17)20(15)19-9-5-6-14-22(19)2;1-15-13-20-17(11-10-16-7-3-4-8-18(16)20)14-19(15)21-9-5-6-12-22(21)2;1-15-13-17-11-10-16-7-3-4-8-18(16)20(17)14-19(15)21-9-5-6-12-22(21)2;1-15-11-18-12-16-7-3-4-8-17(16)13-19(18)14-20(15)21-9-5-6-10-22(21)2;10*1-2/h5*3-14H,1-2H3;10*1-2H3/q5*+1;;;;;;;;;;
InChIKeyVVXZWUHRBBPWGJ-UHFFFAOYSA-N
MW1722.61 g/mol
LogP34.23
Rot. Bonds5

About ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium

ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium (PubChem CID 159518590) has the molecular formula C125H150N5+5 and a molecular weight of 1722.61 g/mol. Its IUPAC name is ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium.

Molecular Properties

Compound Nameethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium
PubChem CID159518590
Molecular FormulaC125H150N5+5
Molecular Weight1722.61 g/mol
Exact Mass1721.19
IUPAC Nameethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c(-c2cccc[n+]2C)ccc2ccc3ccccc3c12.Cc1cc2c(ccc3ccccc32)cc1-c1cccc[n+]1C.Cc1cc2cc3ccccc3cc2cc1-c1cccc[n+]1C.Cc1cc2ccc3ccccc3c2cc1-c1cccc[n+]1C.Cc1ccc2ccc3ccccc3c2c1-c1cccc[n+]1C
InChIInChI=1S/5C21H18N.10C2H6/c1-15-18(20-9-5-6-14-22(20)2)13-12-17-11-10-16-7-3-4-8-19(16)21(15)17;1-15-10-11-17-13-12-16-7-3-4-8-18(16)21(17)20(15)19-9-5-6-14-22(19)2;1-15-13-20-17(11-10-16-7-3-4-8-18(16)20)14-19(15)21-9-5-6-12-22(21)2;1-15-13-17-11-10-16-7-3-4-8-18(16)20(17)14-19(15)21-9-5-6-12-22(21)2;1-15-11-18-12-16-7-3-4-8-17(16)13-19(18)14-20(15)21-9-5-6-10-22(21)2;10*1-2/h5*3-14H,1-2H3;10*1-2H3/q5*+1;;;;;;;;;;
InChIKeyVVXZWUHRBBPWGJ-UHFFFAOYSA-N
XLogP34.23
TPSA19.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001722.61
LogP ≤ 534.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium with MolForge

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Related Compounds

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
1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium
CID 59522858
1,4-dimethyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium
CID 159036743
1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium
CID 169077173
8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline
CID 158880760
1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium
CID 159416367
4-benzo[c]phenanthren-6-yl-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 169077176
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-3-phenanthren-9-yldibenzofuran-4-carbonitrile
CID 169077142
1,4-dimethyl-6-(3-methylphenanthren-4-yl)pyrimidin-1-ium
CID 147766854
1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 157460645
2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;2-methyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium;1-methyl-2-(2-methylnaphthalen-1-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 158165222
2-(9-isocyano-3-methyl-6-phenanthren-9-yldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 169077148

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium?
The IUPAC name of ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium (CID 159518590) is ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium.
What is the SMILES notation for ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium?
The canonical SMILES for ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c(-c2cccc[n+]2C)ccc2ccc3ccccc3c12.Cc1cc2c(ccc3ccccc32)cc1-c1cccc[n+]1C.Cc1cc2cc3ccccc3cc2cc1-c1cccc[n+]1C.Cc1cc2ccc3ccccc3c2cc1-c1cccc[n+]1C.Cc1ccc2ccc3ccccc3c2c1-c1cccc[n+]1C.
What is the InChIKey of ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium?
The InChIKey is VVXZWUHRBBPWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C21H18N.10C2H6/c1-15-18(20-9-5-6-14-22(20)2)13-12-17-11-10-16-7-3-4-8-19(16)21(15)17;1-15-10-11-17-13-12-16-7-3-4-8-18(16)21(17)20(15)19-9-5-6-14-22(19)2;1-15-13-20-17(11-10-16-7-3-4-8-18(16)20)14-19(15)21-9-5-6-12-22(21)2;1-15-13-17-11-10-16-7-3-4-8-18(16)20(17)14-19(15)21-9-5-6-12-22(21)2;1-15-11-18-12-16-7-3-4-8-17(16)13-19(18)14-20(15)21-9-5-6-10-22(21)2;10*1-2/h5*3-14H,1-2H3;10*1-2H3/q5*+1;;;;;;;;;;.
What are the key properties of ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium?
ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium has a molecular weight of 1722.61 g/mol, XLogP of 34.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-(3-methylanthracen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-2-yl)pyridin-1-ium;1-methyl-2-(3-methylphenanthren-4-yl)pyridin-1-ium;1-methyl-2-(4-methylphenanthren-3-yl)pyridin-1-ium is sourced from PubChem (CID 159518590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).