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

C260H371Cl2N15O7S — CID 157393805

IUPACbis(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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=Cc1c(C(C)C)[nH]c2ccccc12.CC(C)c1[nH]c2ccccc2c1C#N.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1OC(C)(C)C2.CC(C)c1cccc2c1OCCCO2.CC(C)c1cccc2c1ccn2C.CC(C)c1oc2ccccc2c1Cl.CC(C)c1oc2ccccc2c1Cl.CCc1c(C(C)C)[nH]c2ccccc12.CCc1cccc2c(C)c(C(C)C)[nH]c12.CCn1ccc2c(C(C)C)cccc21.Cc1c(C(C)C)[nH]c2c(C)cccc12.Cc1cc2[nH]cc(C)c2cc1C(C)C.Cc1oc2ccccc2c1C(C)C
InChIInChI=1S/C14H19N.4C13H17N.C13H15N.C13H18O.C12H12N2.3C12H15N.C12H16O2.C12H14O.2C11H11ClO.2C11H13N.C11H12O.C11H12S.C10H12N2.20CH4/c1-5-11-7-6-8-12-10(4)13(9(2)3)15-14(11)12;1-8(2)11-6-12-10(4)7-14-13(12)5-9(11)3;1-8(2)12-10(4)11-7-5-6-9(3)13(11)14-12;1-4-14-9-8-12-11(10(2)3)6-5-7-13(12)14;2*1-4-10-11-7-5-6-8-12(11)14-13(10)9(2)3;1-9(2)11-7-5-6-10-8-13(3,4)14-12(10)11;1-8(2)12-10(7-13)9-5-3-4-6-11(9)14-12;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)10-5-3-6-11-12(10)14-8-4-7-13-11;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;2*1-7(2)11-10(12)8-5-3-4-6-9(8)13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;;;;;;;;;;;;;;;;;;;;/h6-9,15H,5H2,1-4H3;2*5-8,14H,1-4H3;5-10H,4H2,1-3H3;5-9,14H,4H2,1-3H3;4-9,14H,1H2,2-3H3;5-7,9H,8H2,1-4H3;3-6,8,14H,1-2H3;3*4-9H,1-3H3;3,5-6,9H,4,7-8H2,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;2*3-8,12H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);20*1H4
InChIKeyBMIHHZKWNCZHQC-UHFFFAOYSA-N
MW3921.90 g/mol
LogP84.97
Rot. Bonds24

About 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

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 (PubChem CID 157393805) has the molecular formula C260H371Cl2N15O7S and a molecular weight of 3921.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID157393805
Molecular FormulaC260H371Cl2N15O7S
Molecular Weight3921.90 g/mol
Exact Mass3917.82
IUPAC Namebis(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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=Cc1c(C(C)C)[nH]c2ccccc12.CC(C)c1[nH]c2ccccc2c1C#N.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1OC(C)(C)C2.CC(C)c1cccc2c1OCCCO2.CC(C)c1cccc2c1ccn2C.CC(C)c1oc2ccccc2c1Cl.CC(C)c1oc2ccccc2c1Cl.CCc1c(C(C)C)[nH]c2ccccc12.CCc1cccc2c(C)c(C(C)C)[nH]c12.CCn1ccc2c(C(C)C)cccc21.Cc1c(C(C)C)[nH]c2c(C)cccc12.Cc1cc2[nH]cc(C)c2cc1C(C)C.Cc1oc2ccccc2c1C(C)C
InChIInChI=1S/C14H19N.4C13H17N.C13H15N.C13H18O.C12H12N2.3C12H15N.C12H16O2.C12H14O.2C11H11ClO.2C11H13N.C11H12O.C11H12S.C10H12N2.20CH4/c1-5-11-7-6-8-12-10(4)13(9(2)3)15-14(11)12;1-8(2)11-6-12-10(4)7-14-13(12)5-9(11)3;1-8(2)12-10(4)11-7-5-6-9(3)13(11)14-12;1-4-14-9-8-12-11(10(2)3)6-5-7-13(12)14;2*1-4-10-11-7-5-6-8-12(11)14-13(10)9(2)3;1-9(2)11-7-5-6-10-8-13(3,4)14-12(10)11;1-8(2)12-10(7-13)9-5-3-4-6-11(9)14-12;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)10-5-3-6-11-12(10)14-8-4-7-13-11;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;2*1-7(2)11-10(12)8-5-3-4-6-9(8)13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;;;;;;;;;;;;;;;;;;;;/h6-9,15H,5H2,1-4H3;2*5-8,14H,1-4H3;5-10H,4H2,1-3H3;5-9,14H,4H2,1-3H3;4-9,14H,1H2,2-3H3;5-7,9H,8H2,1-4H3;3-6,8,14H,1-2H3;3*4-9H,1-3H3;3,5-6,9H,4,7-8H2,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;2*3-8,12H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);20*1H4
InChIKeyBMIHHZKWNCZHQC-UHFFFAOYSA-N
XLogP84.97
TPSA278.76 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003921.90
LogP ≤ 584.97
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1,2-dimethylbenzimidazole;1,4-dimethylbenzimidazole;1,5-dimethylbenzimidazole;1,6-dimethylbenzimidazole;1,7-dimethylbenzimidazole;2,4-dimethyl-1H-benzimidazole;bis(2,6-dimethyl-1H-benzimidazole);4,5-dimethyl-1H-benzimidazole;4,6-dimethyl-1H-benzimidazole;5,6-dimethyl-1-benzofuran;5,7-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,4-dimethyl-1-benzothiophene;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,7-dimethyl-1-benzothiophene;3,4-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,6-dimethyl-1-benzothiophene;3,7-dimethyl-1-benzothiophene;4,5-dimethyl-1-benzothiophene;4,6-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;5,7-dimethyl-1-benzothiophene;6,7-dimethyl-1-benzothiophene
CID 160216526
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;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 161995762
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=Cc1c(C(C)C)[nH]c2ccccc12.CC(C)c1[nH]c2ccccc2c1C#N.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1OC(C)(C)C2.CC(C)c1cccc2c1OCCCO2.CC(C)c1cccc2c1ccn2C.CC(C)c1oc2ccccc2c1Cl.CC(C)c1oc2ccccc2c1Cl.CCc1c(C(C)C)[nH]c2ccccc12.CCc1cccc2c(C)c(C(C)C)[nH]c12.CCn1ccc2c(C(C)C)cccc21.Cc1c(C(C)C)[nH]c2c(C)cccc12.Cc1cc2[nH]cc(C)c2cc1C(C)C.Cc1oc2ccccc2c1C(C)C.
What is the InChIKey of 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?
The InChIKey is BMIHHZKWNCZHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.4C13H17N.C13H15N.C13H18O.C12H12N2.3C12H15N.C12H16O2.C12H14O.2C11H11ClO.2C11H13N.C11H12O.C11H12S.C10H12N2.20CH4/c1-5-11-7-6-8-12-10(4)13(9(2)3)15-14(11)12;1-8(2)11-6-12-10(4)7-14-13(12)5-9(11)3;1-8(2)12-10(4)11-7-5-6-9(3)13(11)14-12;1-4-14-9-8-12-11(10(2)3)6-5-7-13(12)14;2*1-4-10-11-7-5-6-8-12(11)14-13(10)9(2)3;1-9(2)11-7-5-6-10-8-13(3,4)14-12(10)11;1-8(2)12-10(7-13)9-5-3-4-6-11(9)14-12;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)10-5-3-6-11-12(10)14-8-4-7-13-11;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;2*1-7(2)11-10(12)8-5-3-4-6-9(8)13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;;;;;;;;;;;;;;;;;;;;/h6-9,15H,5H2,1-4H3;2*5-8,14H,1-4H3;5-10H,4H2,1-3H3;5-9,14H,4H2,1-3H3;4-9,14H,1H2,2-3H3;5-7,9H,8H2,1-4H3;3-6,8,14H,1-2H3;3*4-9H,1-3H3;3,5-6,9H,4,7-8H2,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;2*3-8,12H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);20*1H4.
What are the key properties of 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?
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 has a molecular weight of 3921.90 g/mol, XLogP of 84.97, 24 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157393805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).