9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole

C59H40N4O — CID 71278024

About 9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole (PubChem CID 71278024) has the molecular formula C59H40N4O and a molecular weight of 821.00 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
• PubChem CID: 71278024
• Molecular Formula: C59H40N4O
• Molecular Weight: 821.00 g/mol
• Exact Mass: 820.32
• IUPAC Name: 9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
• SMILES: Cc1ccc(-c2ccc3oc4ccc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cc4c3c2)c(C)c1-n1ccnc1-c1ccccc1
• InChI: InChI=1S/C59H40N4O/c1-37-24-27-45(38(2)58(37)61-31-30-60-59(61)39-14-4-3-5-15-39)41-26-29-57-51(35-41)50-34-40(25-28-56(50)64-57)42-32-43(62-52-20-10-6-16-46(52)47-17-7-11-21-53(47)62)36-44(33-42)63-54-22-12-8-18-48(54)49-19-9-13-23-55(49)63/h3-36H,1-2H3
• InChIKey: VDTZGAPADLVMGA-UHFFFAOYSA-N
• XLogP: 15.58
• TPSA: 40.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.00
LogP ≤ 5	15.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole?

The IUPAC name of 9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole (CID 71278024) is 9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole is Cc1ccc(-c2ccc3oc4ccc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cc4c3c2)c(C)c1-n1ccnc1-c1ccccc1.

What is the InChIKey of 9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole?

The InChIKey is VDTZGAPADLVMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4O/c1-37-24-27-45(38(2)58(37)61-31-30-60-59(61)39-14-4-3-5-15-39)41-26-29-57-51(35-41)50-34-40(25-28-56(50)64-57)42-32-43(62-52-20-10-6-16-46(52)47-17-7-11-21-53(47)62)36-44(33-42)63-54-22-12-8-18-48(54)49-19-9-13-23-55(49)63/h3-36H,1-2H3.

What are the key properties of 9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole?

9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole has a molecular weight of 821.00 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-[8-[2,4-dimethyl-3-(2-phenylimidazol-1-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole is sourced from PubChem (CID 71278024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).