6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane

C62H40N2O5 — CID 144553602

About 6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane

6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane (PubChem CID 144553602) has the molecular formula C62H40N2O5 and a molecular weight of 893.01 g/mol. Its IUPAC name is 6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane.

Molecular Properties

• Compound Name: 6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane
• PubChem CID: 144553602
• Molecular Formula: C62H40N2O5
• Molecular Weight: 893.01 g/mol
• Exact Mass: 892.29
• IUPAC Name: 6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane
• SMILES: CCCC.c1cc2c(cn1)oc1ccc(-c3ccc4oc5ccc(-c6ccc7oc8ccc(-c9ccc%10oc%11ccc(-c%12ccc%13oc%14cnccc%14c%13c%12)cc%11c%10c9)cc8c7c6)cc5c4c3)cc12
• InChI: InChI=1S/C58H30N2O5.C4H10/c1-9-49-41(39-17-19-59-29-57(39)64-49)21-31(1)33-3-11-51-43(23-33)45-25-35(5-13-53(45)61-51)37-7-15-55-47(27-37)48-28-38(8-16-56(48)63-55)36-6-14-54-46(26-36)44-24-34(4-12-52(44)62-54)32-2-10-50-42(22-32)40-18-20-60-30-58(40)65-50;1-3-4-2/h1-30H;3-4H2,1-2H3
• InChIKey: CTKIDWBHSWEBSA-UHFFFAOYSA-N
• XLogP: 18.45
• TPSA: 91.48 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.01
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane?

The IUPAC name of 6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane (CID 144553602) is 6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane.

What is the SMILES notation for 6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane?

The canonical SMILES for 6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane is CCCC.c1cc2c(cn1)oc1ccc(-c3ccc4oc5ccc(-c6ccc7oc8ccc(-c9ccc%10oc%11ccc(-c%12ccc%13oc%14cnccc%14c%13c%12)cc%11c%10c9)cc8c7c6)cc5c4c3)cc12.

What is the InChIKey of 6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane?

The InChIKey is CTKIDWBHSWEBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H30N2O5.C4H10/c1-9-49-41(39-17-19-59-29-57(39)64-49)21-31(1)33-3-11-51-43(23-33)45-25-35(5-13-53(45)61-51)37-7-15-55-47(27-37)48-28-38(8-16-56(48)63-55)36-6-14-54-46(26-36)44-24-34(4-12-52(44)62-54)32-2-10-50-42(22-32)40-18-20-60-30-58(40)65-50;1-3-4-2/h1-30H;3-4H2,1-2H3.

What are the key properties of 6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane?

6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane has a molecular weight of 893.01 g/mol, XLogP of 18.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane is sourced from PubChem (CID 144553602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).