bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole)

C281H402N36OS3 — CID 160862389

IUPACbis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole)
SMILESC.C.C.C=C(/C(=C\c1ccc[nH]1)C(C)C)C(C)C.C=C(/C(=C\c1ccn[nH]1)C(C)C)C(C)C.C=C(/C(=C\c1cn[nH]n1)C(C)C)C(C)C.C=C(/C(=C\c1cn[nH]n1)C(C)C)C(C)C.C=C(/C(=C\c1cn[nH]n1)C(C)C)C(C)C.C=C(/C(=C\c1cnc[nH]1)C(C)C)C(C)C.C=C(/C(=C\c1cnc[nH]1)C(C)C)C(C)C.CC(C)c1cc2ccccc2cc1C(C)C.CC(C)c1cc2cccn2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2cncn2cc1C(C)C.CC(C)c1cc2cncn2cc1C(C)C.CC(C)c1cc2conc2cc1C(C)C.CC(C)c1cc2cscc2cc1C(C)C.CC(C)c1cc2csnc2cc1C(C)C.CC(C)c1cc2csnc2cc1C(C)C.CC(C)c1cc2nccn2cc1C(C)C.CC(C)c1cc2nccn2cc1C(C)C.CC(C)c1cc2nncn2cc1C(C)C.CC(C)c1cc2nncn2cc1C(C)C
InChIInChI=1S/C16H20.2C15H19N.C14H19N.C14H21N.C14H18S.4C13H18N2.3C13H20N2.C13H17NO.2C13H17NS.2C12H17N3.3C12H19N3.3CH4/c1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;2*1-10(2)14-7-12-5-6-16-9-13(12)8-15(14)11(3)4;1-10(2)13-8-12-6-5-7-15(12)9-14(13)11(3)4;1-10(2)12(5)14(11(3)4)9-13-7-6-8-15-13;1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;2*1-9(2)12-5-11-6-14-8-15(11)7-13(12)10(3)4;2*1-9(2)11-7-13-14-5-6-15(13)8-12(11)10(3)4;2*1-9(2)11(5)13(10(3)4)6-12-7-14-8-15-12;1-9(2)11(5)13(10(3)4)8-12-6-7-14-15-12;3*1-8(2)11-5-10-7-15-14-13(10)6-12(11)9(3)4;2*1-8(2)10-5-12-14-13-7-15(12)6-11(10)9(3)4;3*1-8(2)10(5)12(9(3)4)6-11-7-13-15-14-11;;;/h5-12H,1-4H3;2*5-11H,1-4H3;5-11H,1-4H3;6-11,15H,5H2,1-4H3;5*5-10H,1-4H3;3*6-10H,5H2,1-4H3,(H,14,15);5*5-9H,1-4H3;3*6-9H,5H2,1-4H3,(H,13,14,15);3*1H4/b;;;;14-9-;;;;;;2*13-6-;13-8-;;;;;;3*12-6-;;;
InChIKeySKQUHLACUBUMES-KVEJWNFMSA-N
MW4396.76 g/mol
LogP83.15
Rot. Bonds56

About bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole)

bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole) (PubChem CID 160862389) has the molecular formula C281H402N36OS3 and a molecular weight of 4396.76 g/mol. Its IUPAC name is bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole).

Molecular Properties

Compound Namebis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole)
PubChem CID160862389
Molecular FormulaC281H402N36OS3
Molecular Weight4396.76 g/mol
Exact Mass4393.17
IUPAC Namebis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole)
SMILESC.C.C.C=C(/C(=C\c1ccc[nH]1)C(C)C)C(C)C.C=C(/C(=C\c1ccn[nH]1)C(C)C)C(C)C.C=C(/C(=C\c1cn[nH]n1)C(C)C)C(C)C.C=C(/C(=C\c1cn[nH]n1)C(C)C)C(C)C.C=C(/C(=C\c1cn[nH]n1)C(C)C)C(C)C.C=C(/C(=C\c1cnc[nH]1)C(C)C)C(C)C.C=C(/C(=C\c1cnc[nH]1)C(C)C)C(C)C.CC(C)c1cc2ccccc2cc1C(C)C.CC(C)c1cc2cccn2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2cncn2cc1C(C)C.CC(C)c1cc2cncn2cc1C(C)C.CC(C)c1cc2conc2cc1C(C)C.CC(C)c1cc2cscc2cc1C(C)C.CC(C)c1cc2csnc2cc1C(C)C.CC(C)c1cc2csnc2cc1C(C)C.CC(C)c1cc2nccn2cc1C(C)C.CC(C)c1cc2nccn2cc1C(C)C.CC(C)c1cc2nncn2cc1C(C)C.CC(C)c1cc2nncn2cc1C(C)C
InChIInChI=1S/C16H20.2C15H19N.C14H19N.C14H21N.C14H18S.4C13H18N2.3C13H20N2.C13H17NO.2C13H17NS.2C12H17N3.3C12H19N3.3CH4/c1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;2*1-10(2)14-7-12-5-6-16-9-13(12)8-15(14)11(3)4;1-10(2)13-8-12-6-5-7-15(12)9-14(13)11(3)4;1-10(2)12(5)14(11(3)4)9-13-7-6-8-15-13;1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;2*1-9(2)12-5-11-6-14-8-15(11)7-13(12)10(3)4;2*1-9(2)11-7-13-14-5-6-15(13)8-12(11)10(3)4;2*1-9(2)11(5)13(10(3)4)6-12-7-14-8-15-12;1-9(2)11(5)13(10(3)4)8-12-6-7-14-15-12;3*1-8(2)11-5-10-7-15-14-13(10)6-12(11)9(3)4;2*1-8(2)10-5-12-14-13-7-15(12)6-11(10)9(3)4;3*1-8(2)10(5)12(9(3)4)6-11-7-13-15-14-11;;;/h5-12H,1-4H3;2*5-11H,1-4H3;5-11H,1-4H3;6-11,15H,5H2,1-4H3;5*5-10H,1-4H3;3*6-10H,5H2,1-4H3,(H,14,15);5*5-9H,1-4H3;3*6-9H,5H2,1-4H3,(H,13,14,15);3*1H4/b;;;;14-9-;;;;;;2*13-6-;13-8-;;;;;;3*12-6-;;;
InChIKeySKQUHLACUBUMES-KVEJWNFMSA-N
XLogP83.15
TPSA438.12 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds56
Heavy Atoms321
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004396.76
LogP ≤ 583.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole) with MolForge

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Launch Full Analysis

Related Compounds

CID 167564541
CID 167564541
3-[3-(1H-indol-2-yl)-6-pyrazin-2-yl-4-pyridazin-3-yl-7-pyridin-2-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)indazol-3-yl]-1,2-oxazole
CID 140977162
3-[6-(1H-imidazol-2-yl)-5-(1H-pyrazol-3-yl)-1-quinolin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)isoquinolin-7-yl]-1,2-oxazole
CID 141008274
3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole
CID 141069864
5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindol-1-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157061307
6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157106826
5-methyl-2H-benzotriazole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazole;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;bis(5-methyl-1H-pyrazolo[5,4-c]pyridine);6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157107655
3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 157117987
3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine)
CID 157130056
5-methyl-2H-benzotriazole;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157153973
3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;bis(imidazo[1,2-a]pyrazine);bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;isoquinoline;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;quinazoline;3H-quinazolin-4-one;quinoline;quinoxaline
CID 157236367
3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;bis(cyclopenta-1,3-diene);tetrakis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;naphthalene;pyrazine;bis(pyridine);pyrimidine;quinazoline;3H-quinazolin-4-one;quinoline;quinoxaline
CID 157254504

Frequently Asked Questions

What is the IUPAC name of bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole)?
The IUPAC name of bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole) (CID 160862389) is bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole).
What is the SMILES notation for bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole)?
The canonical SMILES for bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole) is C.C.C.C=C(/C(=C\c1ccc[nH]1)C(C)C)C(C)C.C=C(/C(=C\c1ccn[nH]1)C(C)C)C(C)C.C=C(/C(=C\c1cn[nH]n1)C(C)C)C(C)C.C=C(/C(=C\c1cn[nH]n1)C(C)C)C(C)C.C=C(/C(=C\c1cn[nH]n1)C(C)C)C(C)C.C=C(/C(=C\c1cnc[nH]1)C(C)C)C(C)C.C=C(/C(=C\c1cnc[nH]1)C(C)C)C(C)C.CC(C)c1cc2ccccc2cc1C(C)C.CC(C)c1cc2cccn2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2ccncc2cc1C(C)C.CC(C)c1cc2cncn2cc1C(C)C.CC(C)c1cc2cncn2cc1C(C)C.CC(C)c1cc2conc2cc1C(C)C.CC(C)c1cc2cscc2cc1C(C)C.CC(C)c1cc2csnc2cc1C(C)C.CC(C)c1cc2csnc2cc1C(C)C.CC(C)c1cc2nccn2cc1C(C)C.CC(C)c1cc2nccn2cc1C(C)C.CC(C)c1cc2nncn2cc1C(C)C.CC(C)c1cc2nncn2cc1C(C)C.
What is the InChIKey of bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole)?
The InChIKey is SKQUHLACUBUMES-KVEJWNFMSA-N. The full InChI is InChI=1S/C16H20.2C15H19N.C14H19N.C14H21N.C14H18S.4C13H18N2.3C13H20N2.C13H17NO.2C13H17NS.2C12H17N3.3C12H19N3.3CH4/c1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;2*1-10(2)14-7-12-5-6-16-9-13(12)8-15(14)11(3)4;1-10(2)13-8-12-6-5-7-15(12)9-14(13)11(3)4;1-10(2)12(5)14(11(3)4)9-13-7-6-8-15-13;1-9(2)13-5-11-7-15-8-12(11)6-14(13)10(3)4;2*1-9(2)12-5-11-6-14-8-15(11)7-13(12)10(3)4;2*1-9(2)11-7-13-14-5-6-15(13)8-12(11)10(3)4;2*1-9(2)11(5)13(10(3)4)6-12-7-14-8-15-12;1-9(2)11(5)13(10(3)4)8-12-6-7-14-15-12;3*1-8(2)11-5-10-7-15-14-13(10)6-12(11)9(3)4;2*1-8(2)10-5-12-14-13-7-15(12)6-11(10)9(3)4;3*1-8(2)10(5)12(9(3)4)6-11-7-13-15-14-11;;;/h5-12H,1-4H3;2*5-11H,1-4H3;5-11H,1-4H3;6-11,15H,5H2,1-4H3;5*5-10H,1-4H3;3*6-10H,5H2,1-4H3,(H,14,15);5*5-9H,1-4H3;3*6-9H,5H2,1-4H3,(H,13,14,15);3*1H4/b;;;;14-9-;;;;;;2*13-6-;13-8-;;;;;;3*12-6-;;;.
What are the key properties of bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole)?
bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole) has a molecular weight of 4396.76 g/mol, XLogP of 83.15, 56 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,6-di(propan-2-yl)-2,1-benzothiazole);5,6-di(propan-2-yl)-2-benzothiophene;5,6-di(propan-2-yl)-2,1-benzoxazole;bis(6,7-di(propan-2-yl)imidazo[1,2-a]pyridine);bis(6,7-di(propan-2-yl)imidazo[1,5-a]pyridine);6,7-di(propan-2-yl)indolizine;bis(6,7-di(propan-2-yl)isoquinoline);2,3-di(propan-2-yl)naphthalene;bis(6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine);methane;bis(5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-imidazole);5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole;2-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrrole;tris(4-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-2H-triazole) is sourced from PubChem (CID 160862389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).