1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene

C93H72N2O2S6 — CID 158787301

IUPAC1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene
SMILESC1=Cc2occc2C1.C1=Cc2sccc2C1.c1cc2sccc2o1.c1cc2sccc2s1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2sccc2c1
InChIInChI=1S/C14H12.C13H10.C12H9N.C12H8S.C8H7N.C8H6S.C7H6O.C7H6S.C6H4OS.C6H4S2/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2-4-8-7(3-1)5-6-9-8;2*1-2-6-4-5-8-7(6)3-1;1-3-7-5-2-4-8-6(1)5;1-3-7-6-2-4-8-5(1)6/h1-8H,9-10H2;1-8H,9H2;1-8,13H;1-8H;1-6,9H;1-6H;2*1,3-5H,2H2;2*1-4H
InChIKeyIRVOEVASOHTSMH-UHFFFAOYSA-N
MW1442.01 g/mol
LogP28.78
Rot. Bonds

About 1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene

1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene (PubChem CID 158787301) has the molecular formula C93H72N2O2S6 and a molecular weight of 1442.01 g/mol. Its IUPAC name is 1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene.

Molecular Properties

Compound Name1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene
PubChem CID158787301
Molecular FormulaC93H72N2O2S6
Molecular Weight1442.01 g/mol
Exact Mass1440.39
IUPAC Name1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene
SMILESC1=Cc2occc2C1.C1=Cc2sccc2C1.c1cc2sccc2o1.c1cc2sccc2s1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2sccc2c1
InChIInChI=1S/C14H12.C13H10.C12H9N.C12H8S.C8H7N.C8H6S.C7H6O.C7H6S.C6H4OS.C6H4S2/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2-4-8-7(3-1)5-6-9-8;2*1-2-6-4-5-8-7(6)3-1;1-3-7-5-2-4-8-6(1)5;1-3-7-6-2-4-8-5(1)6/h1-8H,9-10H2;1-8H,9H2;1-8,13H;1-8H;1-6,9H;1-6H;2*1,3-5H,2H2;2*1-4H
InChIKeyIRVOEVASOHTSMH-UHFFFAOYSA-N
XLogP28.78
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001442.01
LogP ≤ 528.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene with MolForge

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Related Compounds

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1-benzofuran;1-benzothiophene;5,6-dihydro-4H-1,3-thiazine;1,4-dioxane;1,4-dithiane;ethane;1H-indole;indolizine;thiomorpholine
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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene?
The IUPAC name of 1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene (CID 158787301) is 1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene.
What is the SMILES notation for 1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene?
The canonical SMILES for 1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene is C1=Cc2occc2C1.C1=Cc2sccc2C1.c1cc2sccc2o1.c1cc2sccc2s1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2sccc2c1.
What is the InChIKey of 1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene?
The InChIKey is IRVOEVASOHTSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C13H10.C12H9N.C12H8S.C8H7N.C8H6S.C7H6O.C7H6S.C6H4OS.C6H4S2/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2-4-8-7(3-1)5-6-9-8;2*1-2-6-4-5-8-7(6)3-1;1-3-7-5-2-4-8-6(1)5;1-3-7-6-2-4-8-5(1)6/h1-8H,9-10H2;1-8H,9H2;1-8,13H;1-8H;1-6,9H;1-6H;2*1,3-5H,2H2;2*1-4H.
What are the key properties of 1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene?
1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene has a molecular weight of 1442.01 g/mol, XLogP of 28.78, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;4H-cyclopenta[b]thiophene;dibenzothiophene;9,10-dihydrophenanthrene;9H-fluorene;1H-indole;thieno[3,2-b]furan;thieno[3,2-b]thiophene is sourced from PubChem (CID 158787301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).