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

C86H62N6O5S5 — CID 160771535

About 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

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 (PubChem CID 160771535) has the molecular formula C86H62N6O5S5 and a molecular weight of 1419.81 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160771535
• Molecular Formula: C86H62N6O5S5
• Molecular Weight: 1419.81 g/mol
• Exact Mass: 1418.34
• IUPAC Name: 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
• SMILES: C1=Cc2[nH]ccc2C1.C1=Cc2occc2C1.c1cc2occc2o1.c1cc2sccc2o1.c1cc2sccc2s1.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2nsnc2c1.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C12H8N2.C12H9N.C12H8O.C12H8S.C7H7N.C7H6O.C6H4N2S.C6H4O2.C6H4OS.C6H4S2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2-6-4-5-8-7(6)3-1;1-2-4-6-5(3-1)7-9-8-6;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/h1-8H;1-8,13H;2*1-8H;1,3-5,8H,2H2;1,3-5H,2H2;1-4H;3*1-4H
• InChIKey: RZJOLNXHWTVPEX-UHFFFAOYSA-N
• XLogP: 26.35
• TPSA: 148.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1419.81
LogP ≤ 5	26.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C1=Cc2[nH]ccc2C1.C1=Cc2occc2C1.c1cc2occc2o1.c1cc2sccc2o1.c1cc2sccc2s1.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2nsnc2c1.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of 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?

The InChIKey is RZJOLNXHWTVPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C12H9N.C12H8O.C12H8S.C7H7N.C7H6O.C6H4N2S.C6H4O2.C6H4OS.C6H4S2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2-6-4-5-8-7(6)3-1;1-2-4-6-5(3-1)7-9-8-6;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/h1-8H;1-8,13H;2*1-8H;1,3-5,8H,2H2;1,3-5H,2H2;1-4H;3*1-4H.

What are the key properties of 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?

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 has a molecular weight of 1419.81 g/mol, XLogP of 26.35, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160771535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).