[1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene

C255H262N18O8S8 — CID 161248492

About [1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene

[1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene (PubChem CID 161248492) has the molecular formula C255H262N18O8S8 and a molecular weight of 3963.55 g/mol. Its IUPAC name is [1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene.

Molecular Properties

• Compound Name: [1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene
• PubChem CID: 161248492
• Molecular Formula: C255H262N18O8S8
• Molecular Weight: 3963.55 g/mol
• Exact Mass: 3959.84
• IUPAC Name: [1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc2c(c1)oc1cccnc12.c1ccc2c(c1)oc1cccnc12.c1ccc2c(c1)oc1ccncc12.c1ccc2c(c1)oc1ccncc12.c1ccc2c(c1)oc1cnccc12.c1ccc2c(c1)oc1cnccc12.c1ccc2c(c1)oc1cncnc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)sc1cccnc12.c1ccc2c(c1)sc1ccncc12.c1ccc2c(c1)sc1ccncc12.c1ccc2c(c1)sc1cnccc12.c1ccc2c(c1)sc1cnccc12.c1ccc2c(c1)sc1cncnc12.c1ccc2c(c1)sc1ncccc12.c1ccc2c(c1)sc1ncccc12
• InChI: InChI=1S/7C11H7NO.7C11H7NS.C10H6N2O.C10H6N2S.7C7H8.16C2H6/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;2*1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;2*1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;2*1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;2*1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;2*1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;2*1-2-4-8-7(3-1)10-9(13-8)5-11-6-12-10;7*1-7-5-3-2-4-6-7;16*1-2/h14*1-7H;2*1-6H;7*2-6H,1H3;16*1-2H3
• InChIKey: VAYMEOIHBUGGLV-UHFFFAOYSA-N
• XLogP: 80.62
• TPSA: 337.14 Ų
• H-Bond Acceptors: 34
• Heavy Atoms: 289
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3963.55
LogP ≤ 5	80.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene?

The IUPAC name of [1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene (CID 161248492) is [1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene.

What is the SMILES notation for [1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene?

The canonical SMILES for [1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc2c(c1)oc1cccnc12.c1ccc2c(c1)oc1cccnc12.c1ccc2c(c1)oc1ccncc12.c1ccc2c(c1)oc1ccncc12.c1ccc2c(c1)oc1cnccc12.c1ccc2c(c1)oc1cnccc12.c1ccc2c(c1)oc1cncnc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)sc1cccnc12.c1ccc2c(c1)sc1ccncc12.c1ccc2c(c1)sc1ccncc12.c1ccc2c(c1)sc1cnccc12.c1ccc2c(c1)sc1cnccc12.c1ccc2c(c1)sc1cncnc12.c1ccc2c(c1)sc1ncccc12.c1ccc2c(c1)sc1ncccc12.

What is the InChIKey of [1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene?

The InChIKey is VAYMEOIHBUGGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/7C11H7NO.7C11H7NS.C10H6N2O.C10H6N2S.7C7H8.16C2H6/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;2*1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;2*1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;2*1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;2*1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;2*1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;2*1-2-4-8-7(3-1)10-9(13-8)5-11-6-12-10;7*1-7-5-3-2-4-6-7;16*1-2/h14*1-7H;2*1-6H;7*2-6H,1H3;16*1-2H3.

What are the key properties of [1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene?

[1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene has a molecular weight of 3963.55 g/mol, XLogP of 80.62, 0 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene is sourced from PubChem (CID 161248492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).