1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline

C189H257N13O4S2 — CID 165089364

IUPAC1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline
SMILESCC(C)c1cc2c(cc1C(C)C)NCCN2.CC(C)c1cc2c(cc1C(C)C)OCO2.CC(C)c1cc2cc[nH]c2cc1C(C)C.CC(C)c1cc2ccccc2cc1C(C)C.CC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1cc2ccoc2cc1C(C)C.CC(C)c1cc2ccsc2cc1C(C)C.CC(C)c1cc2cn[nH]c2cc1C(C)C.CC(C)c1cc2nc[nH]c2cc1C(C)C.CC(C)c1cc2nccnc2cc1C(C)C.CC(C)c1cc2ncoc2cc1C(C)C.CC(C)c1cc2ncsc2cc1C(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1cccnc1C(C)C
InChIInChI=1S/C16H20.C15H19N.C14H22N2.C14H18N2.C14H19N.C14H18O.C14H18S.2C13H18N2.C13H17NO.C13H17NS.C13H18O2.C12H18.C11H17N/c1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-10(2)13-8-12-6-5-7-16-15(12)9-14(13)11(3)4;2*1-9(2)11-7-13-14(16-6-5-15-13)8-12(11)10(3)4;3*1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;1-8(2)10-5-12-13(15-7-14-12)6-11(10)9(3)4;1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4;3*1-8(2)10-5-12-13(15-7-14-12)6-11(10)9(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4/h5-12H,1-4H3;5-11H,1-4H3;7-10,15-16H,5-6H2,1-4H3;5-10H,1-4H3;5-10,15H,1-4H3;2*5-10H,1-4H3;2*5-9H,1-4H3,(H,14,15);2*5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;5-10H,1-4H3;5-9H,1-4H3
InChIKeyWLCOOYHPRGNXNQ-UHFFFAOYSA-N
MW2839.36 g/mol
LogP58.62
Rot. Bonds28

About 1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline

1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline (PubChem CID 165089364) has the molecular formula C189H257N13O4S2 and a molecular weight of 2839.36 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline
PubChem CID165089364
Molecular FormulaC189H257N13O4S2
Molecular Weight2839.36 g/mol
Exact Mass2836.97
IUPAC Name1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline
SMILESCC(C)c1cc2c(cc1C(C)C)NCCN2.CC(C)c1cc2c(cc1C(C)C)OCO2.CC(C)c1cc2cc[nH]c2cc1C(C)C.CC(C)c1cc2ccccc2cc1C(C)C.CC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1cc2ccoc2cc1C(C)C.CC(C)c1cc2ccsc2cc1C(C)C.CC(C)c1cc2cn[nH]c2cc1C(C)C.CC(C)c1cc2nc[nH]c2cc1C(C)C.CC(C)c1cc2nccnc2cc1C(C)C.CC(C)c1cc2ncoc2cc1C(C)C.CC(C)c1cc2ncsc2cc1C(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1cccnc1C(C)C
InChIInChI=1S/C16H20.C15H19N.C14H22N2.C14H18N2.C14H19N.C14H18O.C14H18S.2C13H18N2.C13H17NO.C13H17NS.C13H18O2.C12H18.C11H17N/c1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-10(2)13-8-12-6-5-7-16-15(12)9-14(13)11(3)4;2*1-9(2)11-7-13-14(16-6-5-15-13)8-12(11)10(3)4;3*1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;1-8(2)10-5-12-13(15-7-14-12)6-11(10)9(3)4;1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4;3*1-8(2)10-5-12-13(15-7-14-12)6-11(10)9(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4/h5-12H,1-4H3;5-11H,1-4H3;7-10,15-16H,5-6H2,1-4H3;5-10H,1-4H3;5-10,15H,1-4H3;2*5-10H,1-4H3;2*5-9H,1-4H3,(H,14,15);2*5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;5-10H,1-4H3;5-9H,1-4H3
InChIKeyWLCOOYHPRGNXNQ-UHFFFAOYSA-N
XLogP58.62
TPSA219.29 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002839.36
LogP ≤ 558.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline with MolForge

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Related Compounds

6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 157050189
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157243093
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline
CID 157427896
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157437972
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;dibenzothiophene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;triazine;1,3,5-triazine
CID 157518381
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;5-tert-butyl-2-methyl-1,3-benzoxazole;8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158027328
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;bis(1,3-oxazole);[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 158627228
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158641726
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;bis(3-tert-butyl-1-methylindazole);tris(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 158766104
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;6-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;3-tert-butyl-1-methylindazole;6-tert-butyl-3-methyl-2H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 159447135
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-6-fluoro-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1-methylindazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 159982689

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline (CID 165089364) is 1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline is CC(C)c1cc2c(cc1C(C)C)NCCN2.CC(C)c1cc2c(cc1C(C)C)OCO2.CC(C)c1cc2cc[nH]c2cc1C(C)C.CC(C)c1cc2ccccc2cc1C(C)C.CC(C)c1cc2cccnc2cc1C(C)C.CC(C)c1cc2ccoc2cc1C(C)C.CC(C)c1cc2ccsc2cc1C(C)C.CC(C)c1cc2cn[nH]c2cc1C(C)C.CC(C)c1cc2nc[nH]c2cc1C(C)C.CC(C)c1cc2nccnc2cc1C(C)C.CC(C)c1cc2ncoc2cc1C(C)C.CC(C)c1cc2ncsc2cc1C(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1cccnc1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is WLCOOYHPRGNXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20.C15H19N.C14H22N2.C14H18N2.C14H19N.C14H18O.C14H18S.2C13H18N2.C13H17NO.C13H17NS.C13H18O2.C12H18.C11H17N/c1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-10(2)13-8-12-6-5-7-16-15(12)9-14(13)11(3)4;2*1-9(2)11-7-13-14(16-6-5-15-13)8-12(11)10(3)4;3*1-9(2)12-7-11-5-6-15-14(11)8-13(12)10(3)4;1-8(2)10-5-12-13(15-7-14-12)6-11(10)9(3)4;1-8(2)11-5-10-7-14-15-13(10)6-12(11)9(3)4;3*1-8(2)10-5-12-13(15-7-14-12)6-11(10)9(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4/h5-12H,1-4H3;5-11H,1-4H3;7-10,15-16H,5-6H2,1-4H3;5-10H,1-4H3;5-10,15H,1-4H3;2*5-10H,1-4H3;2*5-9H,1-4H3,(H,14,15);2*5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;5-10H,1-4H3;5-9H,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline?
1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 2839.36 g/mol, XLogP of 58.62, 28 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)benzene;5,6-di(propan-2-yl)-1H-benzimidazole;5,6-di(propan-2-yl)-1,3-benzodioxole;5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-1,3-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,3-benzoxazole;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-1H-indole;2,3-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)pyridine;6,7-di(propan-2-yl)quinoline;6,7-di(propan-2-yl)quinoxaline;6,7-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 165089364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).