ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane

C180H203N15O31 — CID 160974262

IUPACethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC1=C(O)C(C=O)=C(C)C2NC=NC12.CC1=COC2C(C)=C(C=O)C(O)=C(C)C12.Cc1c(C=O)c(O)c(C)c2c1C=CC2.Cc1c(C=O)c(O)c(C)c2c1[nH]c1ccccc12.Cc1c(C=O)c(O)c(C)c2c1[nH]c1ccccc12.Cc1c(C=O)c(O)c(C)c2occc12.Cc1c(O)c(C=O)c(C)c2c[nH]cc12.Cc1c(O)c(C=O)c(C)c2cocc12.Cc1c(O)c(C=O)c2cccnc2c1C.Cc1c(O)c(C=O)c2ccncc2c1C.Cc1c(O)c(C=O)c2ccnnc2c1C.Cc1c(O)c(C=O)c2cnncc2c1C.Cc1c(O)c(C=O)c2nccnc2c1C.Cc1c(O)c(C=O)c2ncncc2c1C
InChIInChI=1S/2C15H13NO2.2C12H11NO2.C12H14O3.C12H12O2.4C11H10N2O2.C11H11NO2.2C11H10O3.C10H12N2O2.7C2H6.CH4/c2*1-8-11(7-17)15(18)9(2)13-10-5-3-4-6-12(10)16-14(8)13;1-7-8(2)12(15)11(6-14)9-3-4-13-5-10(7)9;1-7-8(2)12(15)10(6-14)9-4-3-5-13-11(7)9;1-6-5-15-12-7(2)9(4-13)11(14)8(3)10(6)12;1-7-9-4-3-5-10(9)8(2)12(14)11(7)6-13;1-6-7(2)11(15)9(4-14)10-8(6)3-12-5-13-10;1-6-7(2)11(15)10(5-14)9-4-13-12-3-8(6)9;1-6-7(2)11(15)8(5-14)10-9(6)12-3-4-13-10;1-6-7(2)11(15)9(5-14)8-3-4-12-13-10(6)8;1-6-8-3-12-4-9(8)7(2)11(14)10(6)5-13;1-6-8(3-12)11(13)7(2)10-5-14-4-9(6)10;1-6-8-3-4-14-11(8)7(2)10(13)9(6)5-12;1-5-7(3-13)10(14)6(2)9-8(5)11-4-12-9;7*1-2;/h2*3-7,16,18H,1-2H3;2*3-6,15H,1-2H3;4-5,10,12,14H,1-3H3;3-4,6,14H,5H2,1-2H3;4*3-5,15H,1-2H3;3-5,12,14H,1-2H3;2*3-5,13H,1-2H3;3-4,8-9,14H,1-2H3,(H,11,12);7*1-2H3;1H4
InChIKeySYQPUWVMCZJANF-UHFFFAOYSA-N
MW3072.68 g/mol
LogP39.34
Rot. Bonds14

About ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane

ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane (PubChem CID 160974262) has the molecular formula C180H203N15O31 and a molecular weight of 3072.68 g/mol. Its IUPAC name is ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane.

Molecular Properties

Compound Nameethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane
PubChem CID160974262
Molecular FormulaC180H203N15O31
Molecular Weight3072.68 g/mol
Exact Mass3070.48
IUPAC Nameethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC1=C(O)C(C=O)=C(C)C2NC=NC12.CC1=COC2C(C)=C(C=O)C(O)=C(C)C12.Cc1c(C=O)c(O)c(C)c2c1C=CC2.Cc1c(C=O)c(O)c(C)c2c1[nH]c1ccccc12.Cc1c(C=O)c(O)c(C)c2c1[nH]c1ccccc12.Cc1c(C=O)c(O)c(C)c2occc12.Cc1c(O)c(C=O)c(C)c2c[nH]cc12.Cc1c(O)c(C=O)c(C)c2cocc12.Cc1c(O)c(C=O)c2cccnc2c1C.Cc1c(O)c(C=O)c2ccncc2c1C.Cc1c(O)c(C=O)c2ccnnc2c1C.Cc1c(O)c(C=O)c2cnncc2c1C.Cc1c(O)c(C=O)c2nccnc2c1C.Cc1c(O)c(C=O)c2ncncc2c1C
InChIInChI=1S/2C15H13NO2.2C12H11NO2.C12H14O3.C12H12O2.4C11H10N2O2.C11H11NO2.2C11H10O3.C10H12N2O2.7C2H6.CH4/c2*1-8-11(7-17)15(18)9(2)13-10-5-3-4-6-12(10)16-14(8)13;1-7-8(2)12(15)11(6-14)9-3-4-13-5-10(7)9;1-7-8(2)12(15)10(6-14)9-4-3-5-13-11(7)9;1-6-5-15-12-7(2)9(4-13)11(14)8(3)10(6)12;1-7-9-4-3-5-10(9)8(2)12(14)11(7)6-13;1-6-7(2)11(15)9(4-14)10-8(6)3-12-5-13-10;1-6-7(2)11(15)10(5-14)9-4-13-12-3-8(6)9;1-6-7(2)11(15)8(5-14)10-9(6)12-3-4-13-10;1-6-7(2)11(15)9(5-14)8-3-4-12-13-10(6)8;1-6-8-3-12-4-9(8)7(2)11(14)10(6)5-13;1-6-8(3-12)11(13)7(2)10-5-14-4-9(6)10;1-6-8-3-4-14-11(8)7(2)10(13)9(6)5-12;1-5-7(3-13)10(14)6(2)9-8(5)11-4-12-9;7*1-2;/h2*3-7,16,18H,1-2H3;2*3-6,15H,1-2H3;4-5,10,12,14H,1-3H3;3-4,6,14H,5H2,1-2H3;4*3-5,15H,1-2H3;3-5,12,14H,1-2H3;2*3-5,13H,1-2H3;3-4,8-9,14H,1-2H3,(H,11,12);7*1-2H3;1H4
InChIKeySYQPUWVMCZJANF-UHFFFAOYSA-N
XLogP39.34
TPSA758.37 Ų
H-Bond Donors18
H-Bond Acceptors43
Rotatable Bonds14
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003072.68
LogP ≤ 539.34
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane with MolForge

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Related Compounds

4-[4-(benzimidazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-4-pyridinyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 157380444
benzene;1-benzyl-3-methylindole;5-butoxy-3-methyl-1H-indole;1-butoxy-4-propylbenzene;1-butyl-3-methylindole;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;1-ethyl-4-methylindole;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;1-methylanthracene;9-methylanthracene;1-methyl-3,5-diphenylbenzene;4-methyl-2,6-diphenylpyridine;8-methylimidazo[1,2-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;4-methyl-1H-indole;8-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyridine;9-methylphenanthrene;3-methylquinoline;3-methyl-1H-quinolin-4-one;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene;2-propylnaphthalene
CID 157562516
(3S)-3-furo[2,3-f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-g]quinolin-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-g]quinolin-3-ylpiperidine-2,6-dione;(3S)-3-(2-methylfuro[3,2-f]indazol-5-yl)piperidine-2,6-dione;(3R)-3-(2-methylfuro[3,2-f]indazol-5-yl)piperidine-2,6-dione
CID 158104087
3,5-dimethyl-4-(2-methylidene-8-propan-2-yloxy-3,5-dihydroimidazo[4,5-c]quinolin-7-yl)-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-methylidene-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole;3,5-dimethyl-4-[2-(oxan-4-yl)-8-propan-2-yloxy-3H-imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]-8-propan-2-yloxy-1H-imidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-propan-2-yloxy-3-propyl-1H-imidazo[4,5-c]quinolin-2-one;7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-propan-2-yloxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-pyrrolo[3,2-c]quinolin-2-one;2-methylpropane
CID 158211939
4-[4-(benzimidazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 158433430
2,7-di(propan-2-yl)acridine;3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydrocyclopenta[f]indole;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;5,11-di(propan-2-yl)-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene
CID 159202536
ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde
CID 159975747
1-benzyl-3-methylindole;1-benzyl-4-methylindole;5-butoxy-3-methyl-1H-indole;1-butoxy-4-[(E)-prop-1-enyl]benzene;1-butoxy-4-propylbenzene;1-butyl-3-methylindole;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;1-methylanthracene;9-methylanthracene;1-methyl-3,5-diphenylbenzene;4-methyl-2,6-diphenylpyridine;8-methylimidazo[1,2-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;4-methyl-1H-indole;8-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyridine;9-methylphenanthrene;3-methylquinoline;3-methyl-1H-quinolin-4-one;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene;2-propylnaphthalene
CID 160137229
(4R)-4-[(1R)-1-[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylindazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 160246371
ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde
CID 160373540
4-[4-(benzimidazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,6-trimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-4-pyridinyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 160949627
ethane;6-hydroxy-4,7-dimethyl-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1,2-benzoxazole-6-carbaldehyde;methane
CID 161065302

Frequently Asked Questions

What is the IUPAC name of ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane?
The IUPAC name of ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane (CID 160974262) is ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane.
What is the SMILES notation for ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane?
The canonical SMILES for ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane is C.CC.CC.CC.CC.CC.CC.CC.CC1=C(O)C(C=O)=C(C)C2NC=NC12.CC1=COC2C(C)=C(C=O)C(O)=C(C)C12.Cc1c(C=O)c(O)c(C)c2c1C=CC2.Cc1c(C=O)c(O)c(C)c2c1[nH]c1ccccc12.Cc1c(C=O)c(O)c(C)c2c1[nH]c1ccccc12.Cc1c(C=O)c(O)c(C)c2occc12.Cc1c(O)c(C=O)c(C)c2c[nH]cc12.Cc1c(O)c(C=O)c(C)c2cocc12.Cc1c(O)c(C=O)c2cccnc2c1C.Cc1c(O)c(C=O)c2ccncc2c1C.Cc1c(O)c(C=O)c2ccnnc2c1C.Cc1c(O)c(C=O)c2cnncc2c1C.Cc1c(O)c(C=O)c2nccnc2c1C.Cc1c(O)c(C=O)c2ncncc2c1C.
What is the InChIKey of ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane?
The InChIKey is SYQPUWVMCZJANF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H13NO2.2C12H11NO2.C12H14O3.C12H12O2.4C11H10N2O2.C11H11NO2.2C11H10O3.C10H12N2O2.7C2H6.CH4/c2*1-8-11(7-17)15(18)9(2)13-10-5-3-4-6-12(10)16-14(8)13;1-7-8(2)12(15)11(6-14)9-3-4-13-5-10(7)9;1-7-8(2)12(15)10(6-14)9-4-3-5-13-11(7)9;1-6-5-15-12-7(2)9(4-13)11(14)8(3)10(6)12;1-7-9-4-3-5-10(9)8(2)12(14)11(7)6-13;1-6-7(2)11(15)9(4-14)10-8(6)3-12-5-13-10;1-6-7(2)11(15)10(5-14)9-4-13-12-3-8(6)9;1-6-7(2)11(15)8(5-14)10-9(6)12-3-4-13-10;1-6-7(2)11(15)9(5-14)8-3-4-12-13-10(6)8;1-6-8-3-12-4-9(8)7(2)11(14)10(6)5-13;1-6-8(3-12)11(13)7(2)10-5-14-4-9(6)10;1-6-8-3-4-14-11(8)7(2)10(13)9(6)5-12;1-5-7(3-13)10(14)6(2)9-8(5)11-4-12-9;7*1-2;/h2*3-7,16,18H,1-2H3;2*3-6,15H,1-2H3;4-5,10,12,14H,1-3H3;3-4,6,14H,5H2,1-2H3;4*3-5,15H,1-2H3;3-5,12,14H,1-2H3;2*3-5,13H,1-2H3;3-4,8-9,14H,1-2H3,(H,11,12);7*1-2H3;1H4.
What are the key properties of ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane?
ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane has a molecular weight of 3072.68 g/mol, XLogP of 39.34, 14 rotatable bonds, 18 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-hydroxy-4,7-dimethyl-3a,7a-dihydro-3H-benzimidazole-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1-benzofuran-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2-benzofuran-5-carbaldehyde;bis(3-hydroxy-1,4-dimethyl-9H-carbazole-2-carbaldehyde);6-hydroxy-7,8-dimethylcinnoline-5-carbaldehyde;6-hydroxy-4,7-dimethyl-1H-indene-5-carbaldehyde;6-hydroxy-4,7-dimethyl-2H-isoindole-5-carbaldehyde;6-hydroxy-7,8-dimethylisoquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylphthalazine-5-carbaldehyde;7-hydroxy-5,6-dimethylquinazoline-8-carbaldehyde;6-hydroxy-7,8-dimethylquinoline-5-carbaldehyde;6-hydroxy-7,8-dimethylquinoxaline-5-carbaldehyde;5-hydroxy-3,4,7-trimethyl-3a,7a-dihydro-1-benzofuran-6-carbaldehyde;methane is sourced from PubChem (CID 160974262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).