6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine

C₅₉H₃₆N₂OS — CID 147072849

About 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine

6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 147072849) has the molecular formula C₅₉H₃₆N₂OS and a molecular weight of 821.02 g/mol. Its IUPAC name is 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine
• PubChem CID: 147072849
• Molecular Formula: C₅₉H₃₆N₂OS
• Molecular Weight: 821.02 g/mol
• Exact Mass: 820.25
• IUPAC Name: 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine
• SMILES: c1cc(-c2cccc(-c3ccc4sc5ccc(-c6cccc(-c7cccc(-c8ccc9oc%10cnccc%10c9c8)c7)c6)cc5c4c3)c2)cc(-c2ccc3[nH]c4ccccc4c3c2)c1
• InChI: InChI=1S/C59H36N2OS/c1-2-16-54-48(15-1)50-31-44(17-21-55(50)61-54)40-11-3-7-36(27-40)38-9-5-13-42(29-38)46-19-23-58-52(33-46)53-34-47(20-24-59(53)63-58)43-14-6-10-39(30-43)37-8-4-12-41(28-37)45-18-22-56-51(32-45)49-25-26-60-35-57(49)62-56/h1-35,61H
• InChIKey: BFJRGEXMYAFGMW-UHFFFAOYSA-N
• XLogP: 16.99
• TPSA: 41.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.02
LogP ≤ 5	16.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine?

The IUPAC name of 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine (CID 147072849) is 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine.

What is the SMILES notation for 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine?

The canonical SMILES for 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine is c1cc(-c2cccc(-c3ccc4sc5ccc(-c6cccc(-c7cccc(-c8ccc9oc%10cnccc%10c9c8)c7)c6)cc5c4c3)c2)cc(-c2ccc3[nH]c4ccccc4c3c2)c1.

What is the InChIKey of 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine?

The InChIKey is BFJRGEXMYAFGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2OS/c1-2-16-54-48(15-1)50-31-44(17-21-55(50)61-54)40-11-3-7-36(27-40)38-9-5-13-42(29-38)46-19-23-58-52(33-46)53-34-47(20-24-59(53)63-58)43-14-6-10-39(30-43)37-8-4-12-41(28-37)45-18-22-56-51(32-45)49-25-26-60-35-57(49)62-56/h1-35,61H.

What are the key properties of 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine?

6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 821.02 g/mol, XLogP of 16.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-[8-[3-[3-(9H-carbazol-3-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 147072849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 147072849 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.