1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene

C124H192N6O4S3 — CID 157490847

IUPAC1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene
SMILESCCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C10H8.C9H7N.C8H6N2.C8H6O.C8H6S.C7H5NO.10C6H14.C4H4O.C4H4S.C3H3NO.C3H3NS/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;10*1-5-6(2,3)4;2*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-8H;1-7H;1-6H;2*1-6H;1-5H;10*5H2,1-4H3;2*1-4H;2*1-3H
InChIKeyBXGGOVYENVLXEU-UHFFFAOYSA-N
MW1927.14 g/mol
LogP43.14
Rot. Bonds

About 1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene

1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene (PubChem CID 157490847) has the molecular formula C124H192N6O4S3 and a molecular weight of 1927.14 g/mol. Its IUPAC name is 1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene.

Molecular Properties

Compound Name1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene
PubChem CID157490847
Molecular FormulaC124H192N6O4S3
Molecular Weight1927.14 g/mol
Exact Mass1925.42
IUPAC Name1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene
SMILESCCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C10H8.C9H7N.C8H6N2.C8H6O.C8H6S.C7H5NO.10C6H14.C4H4O.C4H4S.C3H3NO.C3H3NS/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;10*1-5-6(2,3)4;2*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-8H;1-7H;1-6H;2*1-6H;1-5H;10*5H2,1-4H3;2*1-4H;2*1-3H
InChIKeyBXGGOVYENVLXEU-UHFFFAOYSA-N
XLogP43.14
TPSA129.90 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001927.14
LogP ≤ 543.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene with MolForge

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Related Compounds

(7R)-5,7-dimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine;(7R)-2,7-dimethyl-4,5,6,7-tetrahydro-1-benzofuran;(4R)-2,4-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole;(7R)-2,7-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;(4R)-4-methyl-4,5,6,7-tetrahydro-1-benzofuran;(7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran;(7R)-7-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;(4R)-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene;(7R)-7-methyl-4,5,6,7-tetrahydro-1-benzothiophene;(1R)-1-methyl-1,2,3,4-tetrahydronaphthalene;(5R)-5-methyl-5,6,7,8-tetrahydroquinoline;(8R)-8-methyl-5,6,7,8-tetrahydroquinoline;(7R)-7-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran;(7R)-5,5,7-trimethyl-6,7-dihydro-4H-1-benzofuran
CID 158403716
Hexazinc;bis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(3,5-dimethylpyrrol-2-ylidene)methyl]-1,3-benzothiazole);bis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(3,5-dimethylpyrrol-2-ylidene)methyl]-1,3-benzoxazole);bis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(3,5-dimethylpyrrol-2-ylidene)methyl]-1,3-oxazole);bis(4-[(3,5-dimethylpyrrol-1-id-2-yl)-(3,5-dimethylpyrrol-2-ylidene)methyl]pyridine);bis(2-[(3,5-dimethylpyrrol-1-id-2-yl)-(3,5-dimethylpyrrol-2-ylidene)methyl]-1,3-thiazole);2-[(3,5-dimethylpyrrol-1-id-2-yl)-(5-methylthiophen-2-yl)methylidene]-3,5-dimethylpyrrole;2-[(3,5-dimethylpyrrol-1-id-2-yl)-[5-(trifluoromethyl)thiophen-2-yl]methylidene]-3,5-dimethylpyrrole
CID 161738134
2-[10-[3-(1,3-Benzothiazol-2-yl)-5-(1,10-phenanthrolin-5-yl)phenyl]anthracen-9-yl]-1,3-benzoxazole
CID 58480105
2-(1-Benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-4-isoquinolin-1-yl-3-(1,3-oxazol-2-yl)-5-quinolin-2-yl-1,2-oxazole
CID 141286231
bis(1-benzofuran);1-benzothiophene;docosakis(2,2-dimethylpropane);furan;isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methylimidazole;1-methylindole;bis(1-methylpyrrole);1,3-oxazole;phthalazine;pyrazine;pyridazine;bis(pyridine);quinoline;quinoxaline;1,3-thiazole;thiophene
CID 157060136
1,2-Benzoxazole;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;4-methylchromen-2-one;2-methylisoindole-1,3-dione;2-methylquinoline;2-methylquinoxaline;quinoxaline
CID 157147527
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline
CID 157185452
3H-1-benzofuran-2-one;1,3-benzothiazole;1,3-benzoxazole;chromen-2-one;bis(2,3-dihydro-1-benzofuran);2,3-dihydro-1H-indene;1,3-dihydroinden-2-one;tridecakis(2,2-dimethylpropane);1H-indene;3H-indole;1H-isoindole;quinoline;1,2,3,4-tetrahydronaphthalene
CID 157226014
acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene
CID 157252834
1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;icosakis(2,2-dimethylpropane);1H-indene;3H-indole;methane;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene)
CID 157270203
4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxathiole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;bis(2,3-dihydroinden-1-one);(2,2-dimethylpropane);1H-indene;bis(3H-indole);2-methyl-1H-indene;quinoline;quinoxaline;tris(1,2,3,4-tetrahydronaphthalene)
CID 157292748
2-[4-[3-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-1,3-benzothiazole;2-[9-(1,3-benzoxazol-2-yl)-5,6-diphenyl-1,10-phenanthrolin-2-yl]-1,3-benzoxazole;[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylphenoxy]-diphenylborane;2-[5-[10-[6-(1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-1,3-oxazole
CID 157323260

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene?
The IUPAC name of 1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene (CID 157490847) is 1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene.
What is the SMILES notation for 1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene?
The canonical SMILES for 1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene is CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.
What is the InChIKey of 1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene?
The InChIKey is BXGGOVYENVLXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H7N.C8H6N2.C8H6O.C8H6S.C7H5NO.10C6H14.C4H4O.C4H4S.C3H3NO.C3H3NS/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;10*1-5-6(2,3)4;2*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-8H;1-7H;1-6H;2*1-6H;1-5H;10*5H2,1-4H3;2*1-4H;2*1-3H.
What are the key properties of 1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene?
1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene has a molecular weight of 1927.14 g/mol, XLogP of 43.14, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1-benzothiophene;1,3-benzoxazole;decakis(2,2-dimethylbutane);furan;naphthalene;1,3-oxazole;quinoline;quinoxaline;1,3-thiazole;thiophene is sourced from PubChem (CID 157490847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).