1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine

C208H273N19O9 — CID 161445605

IUPAC1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine
SMILESC.C.C.C.C.C.C.C.C.C=C(C)c1ccc(C(C)C)cc1.C=C(CC)c1cccc(C(C)C)c1.CC(=O)c1ccc(C(C)C)cc1.CC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(-c2cnco2)ccn1.CC(C)c1cccc(-c2ccccn2)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2cccnc2)n1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(-c2cnco2)n1.CC(C)c1cccc(C2=CCC=C2)n1.CC(C)c1cccc(C2=CCOCC2)n1.CC(C)c1cncc(-c2cnco2)c1.CCCn1cc(-c2cccc(C(C)C)n2)cn1.Cc1ccc(C(C)C)cc1-c1cnco1.Cc1noc(C)c1-c1cccc(C(C)C)n1
InChIInChI=1S/C14H19N3.2C14H15N.C13H16N2O.C13H14N2.C13H15NO.C13H17NO.C13H15N.C13H18.C12H13NO.C12H16.3C11H12N2O.2C11H14O.9CH4/c1-4-8-17-10-12(9-15-17)14-7-5-6-13(16-14)11(2)3;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-8(2)11-6-5-7-12(14-11)13-9(3)15-16-10(13)4;1-10(2)12-6-3-7-13(15-12)11-5-4-8-14-9-11;1-9(2)11-5-4-10(3)12(6-11)13-7-14-8-15-13;1-10(2)12-4-3-5-13(14-12)11-6-8-15-9-7-11;1-10(2)12-8-5-9-13(14-12)11-6-3-4-7-11;1-5-11(4)13-8-6-7-12(9-13)10(2)3;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)9-3-10(5-12-4-9)11-6-13-7-14-11;1-8(2)10-5-9(3-4-13-10)11-6-12-7-14-11;1-8(2)9-4-3-5-10(13-9)11-6-12-7-14-11;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-5-4-6-11(7-10)9(3)12;;;;;;;;;/h5-7,9-11H,4,8H2,1-3H3;2*3-11H,1-2H3;5-8H,1-4H3;3-10H,1-2H3;4-9H,1-3H3;3-6,10H,7-9H2,1-2H3;3,5-10H,4H2,1-2H3;6-10H,4-5H2,1-3H3;3-9H,1-2H3;5-8,10H,1H2,2-4H3;3*3-8H,1-2H3;2*4-8H,1-3H3;9*1H4
InChIKeyVZVVJFFZJUCZAE-UHFFFAOYSA-N
MW3183.60 g/mol
LogP60.17
Rot. Bonds35

About 1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine

1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine (PubChem CID 161445605) has the molecular formula C208H273N19O9 and a molecular weight of 3183.60 g/mol. Its IUPAC name is 1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine.

Molecular Properties

Compound Name1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine
PubChem CID161445605
Molecular FormulaC208H273N19O9
Molecular Weight3183.60 g/mol
Exact Mass3181.15
IUPAC Name1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine
SMILESC.C.C.C.C.C.C.C.C.C=C(C)c1ccc(C(C)C)cc1.C=C(CC)c1cccc(C(C)C)c1.CC(=O)c1ccc(C(C)C)cc1.CC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(-c2cnco2)ccn1.CC(C)c1cccc(-c2ccccn2)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2cccnc2)n1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(-c2cnco2)n1.CC(C)c1cccc(C2=CCC=C2)n1.CC(C)c1cccc(C2=CCOCC2)n1.CC(C)c1cncc(-c2cnco2)c1.CCCn1cc(-c2cccc(C(C)C)n2)cn1.Cc1ccc(C(C)C)cc1-c1cnco1.Cc1noc(C)c1-c1cccc(C(C)C)n1
InChIInChI=1S/C14H19N3.2C14H15N.C13H16N2O.C13H14N2.C13H15NO.C13H17NO.C13H15N.C13H18.C12H13NO.C12H16.3C11H12N2O.2C11H14O.9CH4/c1-4-8-17-10-12(9-15-17)14-7-5-6-13(16-14)11(2)3;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-8(2)11-6-5-7-12(14-11)13-9(3)15-16-10(13)4;1-10(2)12-6-3-7-13(15-12)11-5-4-8-14-9-11;1-9(2)11-5-4-10(3)12(6-11)13-7-14-8-15-13;1-10(2)12-4-3-5-13(14-12)11-6-8-15-9-7-11;1-10(2)12-8-5-9-13(14-12)11-6-3-4-7-11;1-5-11(4)13-8-6-7-12(9-13)10(2)3;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)9-3-10(5-12-4-9)11-6-13-7-14-11;1-8(2)10-5-9(3-4-13-10)11-6-12-7-14-11;1-8(2)9-4-3-5-10(13-9)11-6-12-7-14-11;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-5-4-6-11(7-10)9(3)12;;;;;;;;;/h5-7,9-11H,4,8H2,1-3H3;2*3-11H,1-2H3;5-8H,1-4H3;3-10H,1-2H3;4-9H,1-3H3;3-6,10H,7-9H2,1-2H3;3,5-10H,4H2,1-2H3;6-10H,4-5H2,1-3H3;3-9H,1-2H3;5-8,10H,1H2,2-4H3;3*3-8H,1-2H3;2*4-8H,1-3H3;9*1H4
InChIKeyVZVVJFFZJUCZAE-UHFFFAOYSA-N
XLogP60.17
TPSA359.16 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003183.60
LogP ≤ 560.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine with MolForge

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Related Compounds

2,5-Dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium
CID 157571150
4-tert-butyl-3,4-dihydro-2H-pyrrole;3-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)pyridine;2-(3-tert-butylphenyl)-5-methylidene-4H-1,3-oxazole;3-(3-tert-butylphenyl)-5-methyl-1H-pyrazole;5-(3-tert-butylphenyl)-1,2-oxazol-3-one;2-(5-tert-butyl-3-pyridinyl)-5-methylidene-4H-1,3-oxazole;5-(5-tert-butyl-3-pyridinyl)-3-methyl-1,2-oxazole;4-[3-[5-(5-tert-butyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]morpholine;methane
CID 157579581
2-[4-[2-[3,5-Bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-[1]benzofuro[2,3-b]pyrazine;3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridazine;11-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tris(iridium(3+))
CID 157587194
cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;furan-2-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3H-isoindol-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methylfuran-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(5-methylfuran-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(2H-pyrrol-5-yl)methanone
CID 157977840
N-methyl-5-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(2-methylpropoxy)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;tris(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-methyl-4-pyridinyl)ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-phenylethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-propan-2-yloxy-4-pyridinyl)ethanone
CID 157993479
2,5-Dimethyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium
CID 158249266
1-(amino-methylidene-oxo-lambda6-sulfanyl)-4-propan-2-ylbenzene;2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;1-(4-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;2-propan-2-yl-6-thiophen-3-ylpyridine
CID 158484259
2-(1-benzofuran-3-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-(1,2-benzoxazol-3-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;methane;2-(1,3-oxazol-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-pyrazol-1-ylethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 158505772
[2-[(2-Methylpyrazol-3-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[2-[(3-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(phenoxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-3-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158507441
2,5-Dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-phenyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-2-propan-2-yl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium
CID 159083693
5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;7-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-8H-[1]benzofuro[3,2-b]pyridin-8-ide;8-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(iridium(3+))
CID 159441880
2,5-Dimethyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;5-methyl-2-phenyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
CID 159650382

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine?
The IUPAC name of 1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine (CID 161445605) is 1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine.
What is the SMILES notation for 1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine?
The canonical SMILES for 1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine is C.C.C.C.C.C.C.C.C.C=C(C)c1ccc(C(C)C)cc1.C=C(CC)c1cccc(C(C)C)c1.CC(=O)c1ccc(C(C)C)cc1.CC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(-c2cnco2)ccn1.CC(C)c1cccc(-c2ccccn2)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2cccnc2)n1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(-c2cnco2)n1.CC(C)c1cccc(C2=CCC=C2)n1.CC(C)c1cccc(C2=CCOCC2)n1.CC(C)c1cncc(-c2cnco2)c1.CCCn1cc(-c2cccc(C(C)C)n2)cn1.Cc1ccc(C(C)C)cc1-c1cnco1.Cc1noc(C)c1-c1cccc(C(C)C)n1.
What is the InChIKey of 1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine?
The InChIKey is VZVVJFFZJUCZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.2C14H15N.C13H16N2O.C13H14N2.C13H15NO.C13H17NO.C13H15N.C13H18.C12H13NO.C12H16.3C11H12N2O.2C11H14O.9CH4/c1-4-8-17-10-12(9-15-17)14-7-5-6-13(16-14)11(2)3;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-8(2)11-6-5-7-12(14-11)13-9(3)15-16-10(13)4;1-10(2)12-6-3-7-13(15-12)11-5-4-8-14-9-11;1-9(2)11-5-4-10(3)12(6-11)13-7-14-8-15-13;1-10(2)12-4-3-5-13(14-12)11-6-8-15-9-7-11;1-10(2)12-8-5-9-13(14-12)11-6-3-4-7-11;1-5-11(4)13-8-6-7-12(9-13)10(2)3;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)9-3-10(5-12-4-9)11-6-13-7-14-11;1-8(2)10-5-9(3-4-13-10)11-6-12-7-14-11;1-8(2)9-4-3-5-10(13-9)11-6-12-7-14-11;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-5-4-6-11(7-10)9(3)12;;;;;;;;;/h5-7,9-11H,4,8H2,1-3H3;2*3-11H,1-2H3;5-8H,1-4H3;3-10H,1-2H3;4-9H,1-3H3;3-6,10H,7-9H2,1-2H3;3,5-10H,4H2,1-2H3;6-10H,4-5H2,1-3H3;3-9H,1-2H3;5-8,10H,1H2,2-4H3;3*3-8H,1-2H3;2*4-8H,1-3H3;9*1H4.
What are the key properties of 1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine?
1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine has a molecular weight of 3183.60 g/mol, XLogP of 60.17, 35 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-3-propan-2-ylbenzene;2-cyclopenta-1,4-dien-1-yl-6-propan-2-ylpyridine;2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine;3,5-dimethyl-4-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole;methane;5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazole;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;5-(3-propan-2-ylphenyl)-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)pyridine;1-propan-2-yl-4-prop-1-en-2-ylbenzene;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyridine;5-(2-propan-2-yl-4-pyridinyl)-1,3-oxazole;5-(5-propan-2-yl-3-pyridinyl)-1,3-oxazole;5-(6-propan-2-yl-2-pyridinyl)-1,3-oxazole;2-propan-2-yl-6-pyridin-3-ylpyridine is sourced from PubChem (CID 161445605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).