1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene

C160H231N5O7S2 — CID 162021821

IUPAC1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)c1cc2ccccc2n1C.CC(C)c1cc2ccccc2s1.CC(C)c1ccc2c3c(cccc13)CC2.CC(C)c1ccc2nc[nH]c2c1.CCCOc1c(OC)cccc1C(C)C.CCCOc1cc(OC)ccc1C(C)C.CCc1c(C(C)C)oc2ccccc12.Cc1c(C(C)C)[nH]c2c(C)cccc12.Cc1c(C(C)C)n(C)c2ccccc12.Cc1c(C(C)C)oc2ccccc12.Cc1c(C(C)C)sc2ccccc12.Cc1oc2ccccc2c1C(C)C
InChIInChI=1S/C15H16.2C13H17N.2C13H20O2.C13H16O.C12H15N.2C12H14O.C12H14S.C11H12S.C10H12N2.11CH4/c1-10(2)13-9-8-12-7-6-11-4-3-5-14(13)15(11)12;1-9(2)13-10(3)11-7-5-6-8-12(11)14(13)4;1-8(2)12-10(4)11-7-5-6-9(3)13(11)14-12;1-5-9-15-13-11(10(2)3)7-6-8-12(13)14-4;1-5-8-15-13-9-11(14-4)6-7-12(13)10(2)3;1-4-10-11-7-5-6-8-12(11)14-13(10)9(2)3;1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;2*1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;;;;;;;;;;;/h3-5,8-10H,6-7H2,1-2H3;5-9H,1-4H3;5-8,14H,1-4H3;6-8,10H,5,9H2,1-4H3;6-7,9-10H,5,8H2,1-4H3;5-9H,4H2,1-3H3;4-9H,1-3H3;3*4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);11*1H4
InChIKeyYUVPPYIUDRCHIM-UHFFFAOYSA-N
MW2400.77 g/mol
LogP51.99
Rot. Bonds21

About 1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene

1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene (PubChem CID 162021821) has the molecular formula C160H231N5O7S2 and a molecular weight of 2400.77 g/mol. Its IUPAC name is 1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene
PubChem CID162021821
Molecular FormulaC160H231N5O7S2
Molecular Weight2400.77 g/mol
Exact Mass2398.73
IUPAC Name1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)c1cc2ccccc2n1C.CC(C)c1cc2ccccc2s1.CC(C)c1ccc2c3c(cccc13)CC2.CC(C)c1ccc2nc[nH]c2c1.CCCOc1c(OC)cccc1C(C)C.CCCOc1cc(OC)ccc1C(C)C.CCc1c(C(C)C)oc2ccccc12.Cc1c(C(C)C)[nH]c2c(C)cccc12.Cc1c(C(C)C)n(C)c2ccccc12.Cc1c(C(C)C)oc2ccccc12.Cc1c(C(C)C)sc2ccccc12.Cc1oc2ccccc2c1C(C)C
InChIInChI=1S/C15H16.2C13H17N.2C13H20O2.C13H16O.C12H15N.2C12H14O.C12H14S.C11H12S.C10H12N2.11CH4/c1-10(2)13-9-8-12-7-6-11-4-3-5-14(13)15(11)12;1-9(2)13-10(3)11-7-5-6-8-12(11)14(13)4;1-8(2)12-10(4)11-7-5-6-9(3)13(11)14-12;1-5-9-15-13-11(10(2)3)7-6-8-12(13)14-4;1-5-8-15-13-9-11(14-4)6-7-12(13)10(2)3;1-4-10-11-7-5-6-8-12(11)14-13(10)9(2)3;1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;2*1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;;;;;;;;;;;/h3-5,8-10H,6-7H2,1-2H3;5-9H,1-4H3;5-8,14H,1-4H3;6-8,10H,5,9H2,1-4H3;6-7,9-10H,5,8H2,1-4H3;5-9H,4H2,1-3H3;4-9H,1-3H3;3*4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);11*1H4
InChIKeyYUVPPYIUDRCHIM-UHFFFAOYSA-N
XLogP51.99
TPSA130.67 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002400.77
LogP ≤ 551.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene with MolForge

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Launch Full Analysis

Related Compounds

1-butoxy-4-tert-butylbenzene;2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethenylbenzene;1-tert-butyl-4-ethoxybenzene;bis(1-tert-butyl-4-ethylsulfanylbenzene);2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxynaphthalene;2-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-4-methylsulfanylbenzene;2-tert-butylnaphthalene;2-tert-butyl-3-propan-2-yl-1H-indole;1-tert-butyl-4-propan-2-ylsulfanylbenzene;3-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-tert-butyl-6-(trifluoromethyl)-1H-benzimidazole;2,6-ditert-butyl-1H-benzimidazole;methyl 4-tert-butylbenzoate
CID 160943749
1-butoxy-4-tert-butylbenzene;2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethoxybenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxynaphthalene;2-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;1-tert-butyl-4-(2-methylpropyl)benzene;2-tert-butylnaphthalene;2-tert-butyl-3-propan-2-yl-1H-indole;3-tert-butylquinoline;2-tert-butyl-6-(trifluoromethyl)-1H-benzimidazole;2,6-ditert-butyl-1H-benzimidazole
CID 162206945
bis(3-chloro-2-propan-2-yl-1-benzofuran);2,2-dimethyl-7-propan-2-yl-3H-1-benzofuran;3,6-dimethyl-5-propan-2-yl-1H-indole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethenyl-2-propan-2-yl-1H-indole;7-ethyl-3-methyl-2-propan-2-yl-1H-indole;1-ethyl-4-propan-2-ylindole;3-ethyl-2-propan-2-yl-1H-indole;methane;2-methyl-3-propan-2-yl-1-benzofuran;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzothiophene;6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;2-propan-2-yl-1H-indole-3-carbonitrile
CID 157393805
3-(1-benzofuran-5-yl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enenitrile;3-(3,5-dimethoxyphenyl)-3-(1,2-dimethylbenzimidazol-5-yl)prop-2-enenitrile;3-(3,5-dimethoxyphenyl)-3-(1-methylindol-6-yl)prop-2-enenitrile;3-(3-ethoxy-4-methoxyphenyl)-3-(1H-indol-6-yl)prop-2-enenitrile;3-(3-ethoxy-4-methoxyphenyl)-3-(1-methylindol-6-yl)prop-2-enenitrile
CID 157687859
3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol
CID 157741689
1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-ylthieno[2,3-b]thiophene;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene
CID 158356954
1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-ylthieno[2,3-b]thiophene;3-ethyl-2-propan-2-yl-1-benzofuran;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-yl-2-propoxybenzene;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene
CID 158580496
methane;9-propan-2-ylanthracene;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzothiophene;9-propan-2-yl-9H-fluorene;9-propan-2-yl-9H-xanthene
CID 158834374
12-(4-Dibenzofuran-3-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-(4-dibenzofuran-2-ylphenyl)-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;12-(4-dibenzothiophen-2-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-3-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-[4-(9,9-dimethylfluoren-3-yl)phenyl]-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 159030947
1,3-dimethylazulene;3,6-dimethyl-9H-carbazole;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;methane;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene
CID 159375967
1,3-dimethylazulene;3,6-dimethyl-9H-carbazole;2,7-dimethylpyrene;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene
CID 159439995
3-(1H-benzimidazol-4-yl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;5-(5-methyl-4-phenylthiophen-2-yl)-3-naphthalen-1-yl-1,2,4-oxadiazole;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol
CID 159523675

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene?
The IUPAC name of 1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene (CID 162021821) is 1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene.
What is the SMILES notation for 1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene?
The canonical SMILES for 1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene is C.C.C.C.C.C.C.C.C.C.C.CC(C)c1cc2ccccc2n1C.CC(C)c1cc2ccccc2s1.CC(C)c1ccc2c3c(cccc13)CC2.CC(C)c1ccc2nc[nH]c2c1.CCCOc1c(OC)cccc1C(C)C.CCCOc1cc(OC)ccc1C(C)C.CCc1c(C(C)C)oc2ccccc12.Cc1c(C(C)C)[nH]c2c(C)cccc12.Cc1c(C(C)C)n(C)c2ccccc12.Cc1c(C(C)C)oc2ccccc12.Cc1c(C(C)C)sc2ccccc12.Cc1oc2ccccc2c1C(C)C.
What is the InChIKey of 1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene?
The InChIKey is YUVPPYIUDRCHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.2C13H17N.2C13H20O2.C13H16O.C12H15N.2C12H14O.C12H14S.C11H12S.C10H12N2.11CH4/c1-10(2)13-9-8-12-7-6-11-4-3-5-14(13)15(11)12;1-9(2)13-10(3)11-7-5-6-8-12(11)14(13)4;1-8(2)12-10(4)11-7-5-6-9(3)13(11)14-12;1-5-9-15-13-11(10(2)3)7-6-8-12(13)14-4;1-5-8-15-13-9-11(14-4)6-7-12(13)10(2)3;1-4-10-11-7-5-6-8-12(11)14-13(10)9(2)3;1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;2*1-8(2)12-9(3)10-6-4-5-7-11(10)13-12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;;;;;;;;;;;/h3-5,8-10H,6-7H2,1-2H3;5-9H,1-4H3;5-8,14H,1-4H3;6-8,10H,5,9H2,1-4H3;6-7,9-10H,5,8H2,1-4H3;5-9H,4H2,1-3H3;4-9H,1-3H3;3*4-8H,1-3H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);11*1H4.
What are the key properties of 1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene?
1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene has a molecular weight of 2400.77 g/mol, XLogP of 51.99, 21 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-propan-2-ylindole;3,7-dimethyl-2-propan-2-yl-1H-indole;3-ethyl-2-propan-2-yl-1-benzofuran;methane;1-methoxy-3-propan-2-yl-2-propoxybenzene;4-methoxy-1-propan-2-yl-2-propoxybenzene;2-methyl-3-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;1-methyl-2-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,2-dihydroacenaphthylene is sourced from PubChem (CID 162021821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).