1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene

C70H54N4O7S4 — CID 158749436

IUPAC1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene
SMILESC1=Cc2[nH]ccc2C1.C1=Cc2occc2C1.c1cc2ccoc2cn1.c1cc2occc2o1.c1cc2sccc2o1.c1cc2sccc2s1.c1ccc2[nH]ccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1cnc2occc2c1
InChIInChI=1S/C8H7N.C8H6O.C8H6S.2C7H5NO.C7H7N.C7H6O.C6H4O2.C6H4OS.C6H4S2/c3*1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;2*1-2-6-4-5-8-7(6)3-1;1-3-7-6-2-4-8-5(1)6;1-3-7-5-2-4-8-6(1)5;1-3-7-6-2-4-8-5(1)6/h1-6,9H;2*1-6H;2*1-5H;1,3-5,8H,2H2;1,3-5H,2H2;3*1-4H
InChIKeyINHCRSAGYNUNPP-UHFFFAOYSA-N
MW1191.49 g/mol
LogP22.07
Rot. Bonds

About 1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene

1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene (PubChem CID 158749436) has the molecular formula C70H54N4O7S4 and a molecular weight of 1191.49 g/mol. Its IUPAC name is 1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene.

Molecular Properties

Compound Name1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene
PubChem CID158749436
Molecular FormulaC70H54N4O7S4
Molecular Weight1191.49 g/mol
Exact Mass1190.29
IUPAC Name1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene
SMILESC1=Cc2[nH]ccc2C1.C1=Cc2occc2C1.c1cc2ccoc2cn1.c1cc2occc2o1.c1cc2sccc2o1.c1cc2sccc2s1.c1ccc2[nH]ccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1cnc2occc2c1
InChIInChI=1S/C8H7N.C8H6O.C8H6S.2C7H5NO.C7H7N.C7H6O.C6H4O2.C6H4OS.C6H4S2/c3*1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;2*1-2-6-4-5-8-7(6)3-1;1-3-7-6-2-4-8-5(1)6;1-3-7-5-2-4-8-6(1)5;1-3-7-6-2-4-8-5(1)6/h1-6,9H;2*1-6H;2*1-5H;1,3-5,8H,2H2;1,3-5H,2H2;3*1-4H
InChIKeyINHCRSAGYNUNPP-UHFFFAOYSA-N
XLogP22.07
TPSA149.34 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001191.49
LogP ≤ 522.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene with MolForge

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Related Compounds

2,1,3-benzothiadiazole;1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;thieno[3,2-b]furan;thieno[3,2-b]thiophene
CID 157220917
2,1,3-benzothiadiazole;1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;dibenzothiophene;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;thieno[3,2-b]furan;thieno[3,2-b]thiophene
CID 157228594
acridine;1-benzofuran;2,1,3-benzothiadiazole;1-benzothiophene;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;phenazine;thieno[3,2-b]furan;thieno[3,2-b]thiophene
CID 158035967
benzene;1-benzofuran;1-benzothiophene;1,3-benzoxazole;2H-chromene;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;1,2-dihydronaphthalene;1H-indole;isoquinoline;naphthalene;pyridine;quinoline;1,2,3,4-tetrahydronaphthalene
CID 159532382
1-benzofuran;1-benzothiophene;ethane;1H-indole;tris(2-methyl-1,3-benzoxazole)
CID 160029985
2,1,3-benzothiadiazole;9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;dibenzothiophene;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1,10-phenanthroline;thieno[3,2-b]furan;thieno[3,2-b]thiophene
CID 160771535
2,1,3-benzothiadiazole;1-benzothiophene;9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;thieno[3,2-b]thiophene
CID 161221586
2,1,3-benzothiadiazole;9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;dibenzothiophene;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;thieno[3,2-b]furan;thieno[3,2-b]thiophene
CID 161995599
9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene
CID 162036428
1-benzofuran;1-benzothiophene;cumene;cyclopenta-1,3-diene;furan;1H-indole;decakis(2-methylpropane);1,3-oxazole;2H-pyrrole;3H-pyrrole;1,2-thiazolidine;thiophene
CID 167552025

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene?
The IUPAC name of 1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene (CID 158749436) is 1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene.
What is the SMILES notation for 1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene?
The canonical SMILES for 1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene is C1=Cc2[nH]ccc2C1.C1=Cc2occc2C1.c1cc2ccoc2cn1.c1cc2occc2o1.c1cc2sccc2o1.c1cc2sccc2s1.c1ccc2[nH]ccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1cnc2occc2c1.
What is the InChIKey of 1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene?
The InChIKey is INHCRSAGYNUNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C8H6O.C8H6S.2C7H5NO.C7H7N.C7H6O.C6H4O2.C6H4OS.C6H4S2/c3*1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;2*1-2-6-4-5-8-7(6)3-1;1-3-7-6-2-4-8-5(1)6;1-3-7-5-2-4-8-6(1)5;1-3-7-6-2-4-8-5(1)6/h1-6,9H;2*1-6H;2*1-5H;1,3-5,8H,2H2;1,3-5H,2H2;3*1-4H.
What are the key properties of 1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene?
1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene has a molecular weight of 1191.49 g/mol, XLogP of 22.07, 0 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1-benzothiophene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;furo[2,3-b]pyridine;furo[2,3-c]pyridine;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene is sourced from PubChem (CID 158749436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).