9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole

C57H40N2O — CID 118438901

About 9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole

9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole (PubChem CID 118438901) has the molecular formula C57H40N2O and a molecular weight of 768.96 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole.

Molecular Properties

• Compound Name: 9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole
• PubChem CID: 118438901
• Molecular Formula: C57H40N2O
• Molecular Weight: 768.96 g/mol
• Exact Mass: 768.31
• IUPAC Name: 9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole
• SMILES: Cc1ccccc1-c1ccc(-c2cccc(-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)cc5c4c3)c2C)cc1C
• InChI: InChI=1S/C57H40N2O/c1-35-15-4-5-16-41(35)42-29-27-38(31-36(42)2)43-21-14-22-44(37(43)3)39-28-30-56-49(32-39)50-33-40(58-51-23-10-6-17-45(51)46-18-7-11-24-52(46)58)34-55(57(50)60-56)59-53-25-12-8-19-47(53)48-20-9-13-26-54(48)59/h4-34H,1-3H3
• InChIKey: JVLCFDXMMQLCTO-UHFFFAOYSA-N
• XLogP: 15.71
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.96
LogP ≤ 5	15.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole?

The IUPAC name of 9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole (CID 118438901) is 9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole.

What is the SMILES notation for 9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole?

The canonical SMILES for 9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole is Cc1ccccc1-c1ccc(-c2cccc(-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)cc5c4c3)c2C)cc1C.

What is the InChIKey of 9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole?

The InChIKey is JVLCFDXMMQLCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2O/c1-35-15-4-5-16-41(35)42-29-27-38(31-36(42)2)43-21-14-22-44(37(43)3)39-28-30-56-49(32-39)50-33-40(58-51-23-10-6-17-45(51)46-18-7-11-24-52(46)58)34-55(57(50)60-56)59-53-25-12-8-19-47(53)48-20-9-13-26-54(48)59/h4-34H,1-3H3.

What are the key properties of 9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole?

9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole has a molecular weight of 768.96 g/mol, XLogP of 15.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 118438901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).