1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene

C88H143N7O4S4 — CID 158815841

IUPAC1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene
SMILESC.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.COC.COC.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc12.Cc1csc2ccccc12.Cc1csc2ccccc12.c1c[nH]cn1.c1ccc2c(c1)OCO2.c1ccncc1.c1ccncc1.c1ccsc1.c1cscn1
InChIInChI=1S/2C9H9N.2C9H8S.C7H6O2.2C5H5N.C4H4S.C3H4N2.C3H3NS.2C2H6O.7C2H6.7CH4/c4*1-7-6-10-9-5-3-2-4-8(7)9;1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-3-2;7*1-2;;;;;;;/h2*2-6,10H,1H3;2*2-6H,1H3;1-4H,5H2;2*1-5H;1-4H;1-3H,(H,4,5);1-3H;2*1-2H3;7*1-2H3;7*1H4
InChIKeyIVGHZDZMJWGAAM-UHFFFAOYSA-N
MW1491.42 g/mol
LogP30.41
Rot. Bonds

About 1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene

1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene (PubChem CID 158815841) has the molecular formula C88H143N7O4S4 and a molecular weight of 1491.42 g/mol. Its IUPAC name is 1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene.

Molecular Properties

Compound Name1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene
PubChem CID158815841
Molecular FormulaC88H143N7O4S4
Molecular Weight1491.42 g/mol
Exact Mass1490.01
IUPAC Name1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene
SMILESC.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.COC.COC.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc12.Cc1csc2ccccc12.Cc1csc2ccccc12.c1c[nH]cn1.c1ccc2c(c1)OCO2.c1ccncc1.c1ccncc1.c1ccsc1.c1cscn1
InChIInChI=1S/2C9H9N.2C9H8S.C7H6O2.2C5H5N.C4H4S.C3H4N2.C3H3NS.2C2H6O.7C2H6.7CH4/c4*1-7-6-10-9-5-3-2-4-8(7)9;1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-3-2;7*1-2;;;;;;;/h2*2-6,10H,1H3;2*2-6H,1H3;1-4H,5H2;2*1-5H;1-4H;1-3H,(H,4,5);1-3H;2*1-2H3;7*1-2H3;7*1H4
InChIKeyIVGHZDZMJWGAAM-UHFFFAOYSA-N
XLogP30.41
TPSA135.85 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001491.42
LogP ≤ 530.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene with MolForge

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Related Compounds

5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;4-(2,2-dimethylpropyl)-1H-indole;5-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole
CID 157313630
5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole
CID 157418782
5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole
CID 157496255
benzene;1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,4-dihydro-1H-benzimidazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1H-indene;ethane;methane;naphthalene;quinoline;quinoxaline;1,2,3,4-tetrahydroquinoline
CID 157823094
1H-benzimidazole;1,3-benzodioxole;2,3-dihydro-1H-indole;1H-indole;methane;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1,2,3,4-tetrahydroisoquinoline;4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 157941202
Benzene;1,3-benzodioxole;1,3-benzothiazole;ethane;naphthalene;pyridine;pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,3-thiazole
CID 158039853
benzene;1,3-benzodioxole;ethane;1H-imidazole;methoxymethane;3-methyl-1-benzothiophene;tris(3-methyl-1H-indole);pyridine;1,3-thiazole;thiophene
CID 158123018
1H-benzimidazole;1,3-benzodioxole;1H-indole;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1,2,3,4-tetrahydroisoquinoline;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
CID 158705814
1H-benzimidazole;1,3-benzodioxole;1H-indole;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1,2,3,4-tetrahydroisoquinoline;4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 158739923
1H-benzimidazole;1,3-benzodioxole;1H-indole;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1,2,3,4-tetrahydroisoquinoline;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine
CID 158970307
1-azabicyclo[2.2.2]octane;azepane;1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;benzylbenzene;N,N'-diphenylmethanediamine;furan;methane;1H-pyrrole;pyrrolidine
CID 159105005
benzene;1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;ethane;naphthalene;pyridine;pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,3-thiazole
CID 159150350

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene?
The IUPAC name of 1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene (CID 158815841) is 1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene.
What is the SMILES notation for 1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene?
The canonical SMILES for 1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene is C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.COC.COC.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc12.Cc1csc2ccccc12.Cc1csc2ccccc12.c1c[nH]cn1.c1ccc2c(c1)OCO2.c1ccncc1.c1ccncc1.c1ccsc1.c1cscn1.
What is the InChIKey of 1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene?
The InChIKey is IVGHZDZMJWGAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H9N.2C9H8S.C7H6O2.2C5H5N.C4H4S.C3H4N2.C3H3NS.2C2H6O.7C2H6.7CH4/c4*1-7-6-10-9-5-3-2-4-8(7)9;1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-3-2;7*1-2;;;;;;;/h2*2-6,10H,1H3;2*2-6H,1H3;1-4H,5H2;2*1-5H;1-4H;1-3H,(H,4,5);1-3H;2*1-2H3;7*1-2H3;7*1H4.
What are the key properties of 1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene?
1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene has a molecular weight of 1491.42 g/mol, XLogP of 30.41, 0 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxole;ethane;1H-imidazole;methane;methoxymethane;bis(3-methyl-1-benzothiophene);bis(3-methyl-1H-indole);bis(pyridine);1,3-thiazole;thiophene is sourced from PubChem (CID 158815841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).