3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole

C56H35N3O — CID 165168729

About 3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole

3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 165168729) has the molecular formula C56H35N3O and a molecular weight of 765.92 g/mol. Its IUPAC name is 3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

• Compound Name: 3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
• PubChem CID: 165168729
• Molecular Formula: C56H35N3O
• Molecular Weight: 765.92 g/mol
• Exact Mass: 765.28
• IUPAC Name: 3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
• SMILES: c1ccc(-n2c3ccccc3c3c4ccc(-c5cccc(-c6cccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)c6)c5)cc4oc32)cc1
• InChI: InChI=1S/C56H35N3O/c1-2-17-40(18-3-1)59-52-27-11-7-23-46(52)55-47-30-28-39(34-54(47)60-56(55)59)37-15-12-14-36(32-37)38-16-13-19-41(33-38)57-51-26-10-6-22-45(51)48-35-42(29-31-53(48)57)58-49-24-8-4-20-43(49)44-21-5-9-25-50(44)58/h1-35H
• InChIKey: YZOCLELQTVYUPB-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 27.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.92
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?

The IUPAC name of 3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (CID 165168729) is 3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.

What is the SMILES notation for 3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?

The canonical SMILES for 3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is c1ccc(-n2c3ccccc3c3c4ccc(-c5cccc(-c6cccc(-n7c8ccccc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)c6)c5)cc4oc32)cc1.

What is the InChIKey of 3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?

The InChIKey is YZOCLELQTVYUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O/c1-2-17-40(18-3-1)59-52-27-11-7-23-46(52)55-47-30-28-39(34-54(47)60-56(55)59)37-15-12-14-36(32-37)38-16-13-19-41(33-38)57-51-26-10-6-22-45(51)48-35-42(29-31-53(48)57)58-49-24-8-4-20-43(49)44-21-5-9-25-50(44)58/h1-35H.

What are the key properties of 3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?

3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole has a molecular weight of 765.92 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165168729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).