3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole

C59H44N2OS — CID 71248592

About 3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole

3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole (PubChem CID 71248592) has the molecular formula C59H44N2OS and a molecular weight of 829.08 g/mol. Its IUPAC name is 3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
• PubChem CID: 71248592
• Molecular Formula: C59H44N2OS
• Molecular Weight: 829.08 g/mol
• Exact Mass: 828.32
• IUPAC Name: 3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
• SMILES: Cc1ccc(-c2ccc3c(c2)c2cc(Oc4ccc5c(c4)c4cc(-c6c(C)cc(C)cc6C)ccc4n5-c4ccccc4)ccc2n3-c2ccc3sc4ccccc4c3c2)c(C)c1
• InChI: InChI=1S/C59H44N2OS/c1-35-15-21-46(37(3)27-35)40-16-22-54-48(30-40)50-33-45(20-25-56(50)61(54)43-18-26-58-52(32-43)47-13-9-10-14-57(47)63-58)62-44-19-24-55-51(34-44)49-31-41(59-38(4)28-36(2)29-39(59)5)17-23-53(49)60(55)42-11-7-6-8-12-42/h6-34H,1-5H3
• InChIKey: JMTXMPOOKYOSJW-UHFFFAOYSA-N
• XLogP: 16.92
• TPSA: 19.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.08
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?

The IUPAC name of 3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole (CID 71248592) is 3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole.

What is the SMILES notation for 3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?

The canonical SMILES for 3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2cc(Oc4ccc5c(c4)c4cc(-c6c(C)cc(C)cc6C)ccc4n5-c4ccccc4)ccc2n3-c2ccc3sc4ccccc4c3c2)c(C)c1.

What is the InChIKey of 3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?

The InChIKey is JMTXMPOOKYOSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N2OS/c1-35-15-21-46(37(3)27-35)40-16-22-54-48(30-40)50-33-45(20-25-56(50)61(54)43-18-26-58-52(32-43)47-13-9-10-14-57(47)63-58)62-44-19-24-55-51(34-44)49-31-41(59-38(4)28-36(2)29-39(59)5)17-23-53(49)60(55)42-11-7-6-8-12-42/h6-34H,1-5H3.

What are the key properties of 3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?

3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 829.08 g/mol, XLogP of 16.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-dibenzothiophen-2-yl-6-(2,4-dimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 71248592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).