deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline

C117H128N12O2 — CID 158788257

IUPACdeuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline
SMILESCc1c2ccccc2nc2ccccc12.Cc1cccc2c1OC1C=CC=CC1O2.Cc1cccc2cc3ccccc3nc12.Cc1cccc2ccc(-c3ccncc3)nc12.Cc1cccc2cccnc12.Cc1cccc2nc3ccccc3nc12.Cc1ccnc2ccccc12.Cc1ccnc2nc(-c3ccccc3)[nH]c12.Cc1ccncc1.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C
InChIInChI=1S/C15H12N2.2C14H11N.C13H11N3.C13H10N2.C13H12O2.2C10H9N.C6H7N.9CH4/c1-11-3-2-4-13-5-6-14(17-15(11)13)12-7-9-16-10-8-12;1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-10-5-4-7-12-9-11-6-2-3-8-13(11)15-14(10)12;1-9-7-8-14-13-11(9)15-12(16-13)10-5-3-2-4-6-10;2*1-9-5-4-8-12-13(9)15-11-7-3-2-6-10(11)14-12;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-6-7-11-10-5-3-2-4-9(8)10;1-6-2-4-7-5-3-6;;;;;;;;;/h2-10H,1H3;2*2-9H,1H3;2-8H,1H3,(H,14,15,16);2-8H,1H3;2-8,10-11H,1H3;2*2-7H,1H3;2-5H,1H3;9*1H4/i;;;;;;;;;9*1D
InChIKeyIRYJSKKWWNIHRU-ANTMTJDRSA-N
MW1743.45 g/mol
LogP31.85
Rot. Bonds2

About deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline

deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline (PubChem CID 158788257) has the molecular formula C117H128N12O2 and a molecular weight of 1743.45 g/mol. Its IUPAC name is deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline.

Molecular Properties

Compound Namedeuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline
PubChem CID158788257
Molecular FormulaC117H128N12O2
Molecular Weight1743.45 g/mol
Exact Mass1742.08
IUPAC Namedeuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline
SMILESCc1c2ccccc2nc2ccccc12.Cc1cccc2c1OC1C=CC=CC1O2.Cc1cccc2cc3ccccc3nc12.Cc1cccc2ccc(-c3ccncc3)nc12.Cc1cccc2cccnc12.Cc1cccc2nc3ccccc3nc12.Cc1ccnc2ccccc12.Cc1ccnc2nc(-c3ccccc3)[nH]c12.Cc1ccncc1.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C
InChIInChI=1S/C15H12N2.2C14H11N.C13H11N3.C13H10N2.C13H12O2.2C10H9N.C6H7N.9CH4/c1-11-3-2-4-13-5-6-14(17-15(11)13)12-7-9-16-10-8-12;1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-10-5-4-7-12-9-11-6-2-3-8-13(11)15-14(10)12;1-9-7-8-14-13-11(9)15-12(16-13)10-5-3-2-4-6-10;2*1-9-5-4-8-12-13(9)15-11-7-3-2-6-10(11)14-12;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-6-7-11-10-5-3-2-4-9(8)10;1-6-2-4-7-5-3-6;;;;;;;;;/h2-10H,1H3;2*2-9H,1H3;2-8H,1H3,(H,14,15,16);2-8H,1H3;2-8,10-11H,1H3;2*2-7H,1H3;2-5H,1H3;9*1H4/i;;;;;;;;;9*1D
InChIKeyIRYJSKKWWNIHRU-ANTMTJDRSA-N
XLogP31.85
TPSA176.04 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds2
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001743.45
LogP ≤ 531.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline with MolForge

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole
CID 46881886
4-[2-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine
CID 46882064
6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenylmethoxyphenyl)-9H-pyrido[2,3-b]indole
CID 72194541
4-[2-(8-propoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine
CID 46882065
8-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinoline
CID 168291264
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dimethyl-6-pyridin-4-yl-1H-benzimidazole
CID 46881888
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine
CID 72545256
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 16118715
4-[3-[3-(1H-benzimidazol-2-yl)phenoxy]phenyl]-3-benzyl-8-(trifluoromethyl)quinoline
CID 68933146
6-[4-[6-[[4-[7-(2-amino-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]methoxy]-7-methoxyquinolin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-imidazo[4,5-b]pyridin-2-amine
CID 91127840
2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(2,4-difluoro-6-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;3-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-benzimidazol-3-ium;N,N,4-trimethyl-3-(2-methylisoquinolin-2-ium-1-yl)aniline
CID 158111872
6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl]quinoline;6-[5-(6-methylpyridin-2-yl)-2-[(3-phenoxyphenyl)methyl]-1H-imidazol-4-yl]quinoxaline
CID 160589006

Frequently Asked Questions

What is the IUPAC name of deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline?
The IUPAC name of deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline (CID 158788257) is deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline.
What is the SMILES notation for deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline?
The canonical SMILES for deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline is Cc1c2ccccc2nc2ccccc12.Cc1cccc2c1OC1C=CC=CC1O2.Cc1cccc2cc3ccccc3nc12.Cc1cccc2ccc(-c3ccncc3)nc12.Cc1cccc2cccnc12.Cc1cccc2nc3ccccc3nc12.Cc1ccnc2ccccc12.Cc1ccnc2nc(-c3ccccc3)[nH]c12.Cc1ccncc1.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.
What is the InChIKey of deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline?
The InChIKey is IRYJSKKWWNIHRU-ANTMTJDRSA-N. The full InChI is InChI=1S/C15H12N2.2C14H11N.C13H11N3.C13H10N2.C13H12O2.2C10H9N.C6H7N.9CH4/c1-11-3-2-4-13-5-6-14(17-15(11)13)12-7-9-16-10-8-12;1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-10-5-4-7-12-9-11-6-2-3-8-13(11)15-14(10)12;1-9-7-8-14-13-11(9)15-12(16-13)10-5-3-2-4-6-10;2*1-9-5-4-8-12-13(9)15-11-7-3-2-6-10(11)14-12;1-8-4-2-5-9-6-3-7-11-10(8)9;1-8-6-7-11-10-5-3-2-4-9(8)10;1-6-2-4-7-5-3-6;;;;;;;;;/h2-10H,1H3;2*2-9H,1H3;2-8H,1H3,(H,14,15,16);2-8H,1H3;2-8,10-11H,1H3;2*2-7H,1H3;2-5H,1H3;9*1H4/i;;;;;;;;;9*1D.
What are the key properties of deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline?
deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline has a molecular weight of 1743.45 g/mol, XLogP of 31.85, 2 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;7-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline is sourced from PubChem (CID 158788257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).