deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;4-methyl-2-phenyl-1H-benzimidazole;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline

C118H129N11O2 — CID 159962749

IUPACdeuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;4-methyl-2-phenyl-1H-benzimidazole;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline
SMILESCc1c2ccccc2nc2ccccc12.Cc1cccc2[nH]c(-c3ccccc3)nc12.Cc1cccc2c1OC1C=CC=CC1O2.Cc1cccc2cc3ccccc3nc12.Cc1cccc2ccc(-c3ccncc3)nc12.Cc1cccc2cccnc12.Cc1cccc2nc3ccccc3nc12.Cc1ccnc2ccccc12.Cc1ccncc1.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C
InChIInChI=1S/C15H12N2.C14H12N2.2C14H11N.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;1-10-6-5-9-12-13(10)16-14(15-12)11-7-3-2-4-8-11;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;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;2-9H,1H3,(H,15,16);2*2-9H,1H3;2-8H,1H3;2-8,10-11H,1H3;2*2-7H,1H3;2-5H,1H3;9*1H4/i;;;;;;;;;9*1D
InChIKeyODNSPLXJFLTDMA-ANTMTJDRSA-N
MW1742.46 g/mol
LogP32.46
Rot. Bonds2

About deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;4-methyl-2-phenyl-1H-benzimidazole;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;4-methyl-2-phenyl-1H-benzimidazole;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline (PubChem CID 159962749) has the molecular formula C118H129N11O2 and a molecular weight of 1742.46 g/mol. Its IUPAC name is deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;4-methyl-2-phenyl-1H-benzimidazole;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;4-methyl-2-phenyl-1H-benzimidazole;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline
PubChem CID159962749
Molecular FormulaC118H129N11O2
Molecular Weight1742.46 g/mol
Exact Mass1741.09
IUPAC Namedeuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;4-methyl-2-phenyl-1H-benzimidazole;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline
SMILESCc1c2ccccc2nc2ccccc12.Cc1cccc2[nH]c(-c3ccccc3)nc12.Cc1cccc2c1OC1C=CC=CC1O2.Cc1cccc2cc3ccccc3nc12.Cc1cccc2ccc(-c3ccncc3)nc12.Cc1cccc2cccnc12.Cc1cccc2nc3ccccc3nc12.Cc1ccnc2ccccc12.Cc1ccncc1.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C.[2H]C
InChIInChI=1S/C15H12N2.C14H12N2.2C14H11N.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;1-10-6-5-9-12-13(10)16-14(15-12)11-7-3-2-4-8-11;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;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;2-9H,1H3,(H,15,16);2*2-9H,1H3;2-8H,1H3;2-8,10-11H,1H3;2*2-7H,1H3;2-5H,1H3;9*1H4/i;;;;;;;;;9*1D
InChIKeyODNSPLXJFLTDMA-ANTMTJDRSA-N
XLogP32.46
TPSA163.15 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001742.46
LogP ≤ 532.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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;4-methyl-2-phenyl-1H-benzimidazole;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
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-3-yl)-6-pyridin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 44128501
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-4-yl)-1H-imidazo[4,5-c]pyridine
CID 172454381
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
6-[2-[[4-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 44546004
4-[3-[3-(1H-benzimidazol-2-yl)phenoxy]phenyl]-3-benzyl-8-(trifluoromethyl)quinoline
CID 68933146
7-fluoro-4-[[5-methyl-8-(2-methyl-3H-benzimidazol-5-yl)-3,4,5,6-tetrahydro-2H-1-benzoxocin-4-yl]methyl]quinoline
CID 123848170

Frequently Asked Questions

What is the IUPAC name of deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;4-methyl-2-phenyl-1H-benzimidazole;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;4-methyl-2-phenyl-1H-benzimidazole;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline (CID 159962749) is deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin;4-methylacridine;9-methylacridine;1-methylphenazine;4-methyl-2-phenyl-1H-benzimidazole;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;4-methyl-2-phenyl-1H-benzimidazole;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;4-methyl-2-phenyl-1H-benzimidazole;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline is Cc1c2ccccc2nc2ccccc12.Cc1cccc2[nH]c(-c3ccccc3)nc12.Cc1cccc2c1OC1C=CC=CC1O2.Cc1cccc2cc3ccccc3nc12.Cc1cccc2ccc(-c3ccncc3)nc12.Cc1cccc2cccnc12.Cc1cccc2nc3ccccc3nc12.Cc1ccnc2ccccc12.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;4-methyl-2-phenyl-1H-benzimidazole;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline?
The InChIKey is ODNSPLXJFLTDMA-ANTMTJDRSA-N. The full InChI is InChI=1S/C15H12N2.C14H12N2.2C14H11N.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;1-10-6-5-9-12-13(10)16-14(15-12)11-7-3-2-4-8-11;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;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;2-9H,1H3,(H,15,16);2*2-9H,1H3;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;4-methyl-2-phenyl-1H-benzimidazole;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;4-methyl-2-phenyl-1H-benzimidazole;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline has a molecular weight of 1742.46 g/mol, XLogP of 32.46, 2 rotatable bonds, 1 hydrogen bond donors, and 12 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;4-methyl-2-phenyl-1H-benzimidazole;4-methylpyridine;8-methyl-2-pyridin-4-ylquinoline;4-methylquinoline;8-methylquinoline is sourced from PubChem (CID 159962749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).