9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole

C66H50N2O2 — CID 88887738

About 9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole

9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole (PubChem CID 88887738) has the molecular formula C66H50N2O2 and a molecular weight of 903.14 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole
• PubChem CID: 88887738
• Molecular Formula: C66H50N2O2
• Molecular Weight: 903.14 g/mol
• Exact Mass: 902.39
• IUPAC Name: 9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole
• SMILES: Cc1cc(C)c(C2=CC3c4ccc(-c5ccc6c7cc(-c8c(C)cc(C)cc8C)ccc7n(-c7ccc8oc9ccccc9c8c7)c6c5)cc4N(c4ccc5oc6ccccc6c5c4)C3C=C2)c(C)c1
• InChI: InChI=1S/C66H50N2O2/c1-37-27-39(3)65(40(4)28-37)45-17-23-57-53(31-45)49-21-15-43(33-59(49)67(57)47-19-25-63-55(35-47)51-11-7-9-13-61(51)69-63)44-16-22-50-54-32-46(66-41(5)29-38(2)30-42(66)6)18-24-58(54)68(60(50)34-44)48-20-26-64-56(36-48)52-12-8-10-14-62(52)70-64/h7-36,53,57H,1-6H3
• InChIKey: RQHFWQTWVGVOMS-UHFFFAOYSA-N
• XLogP: 18.02
• TPSA: 34.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.14
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole?

The IUPAC name of 9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole (CID 88887738) is 9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole.

What is the SMILES notation for 9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole?

The canonical SMILES for 9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(C2=CC3c4ccc(-c5ccc6c7cc(-c8c(C)cc(C)cc8C)ccc7n(-c7ccc8oc9ccccc9c8c7)c6c5)cc4N(c4ccc5oc6ccccc6c5c4)C3C=C2)c(C)c1.

What is the InChIKey of 9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole?

The InChIKey is RQHFWQTWVGVOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N2O2/c1-37-27-39(3)65(40(4)28-37)45-17-23-57-53(31-45)49-21-15-43(33-59(49)67(57)47-19-25-63-55(35-47)51-11-7-9-13-61(51)69-63)44-16-22-50-54-32-46(66-41(5)29-38(2)30-42(66)6)18-24-58(54)68(60(50)34-44)48-20-26-64-56(36-48)52-12-8-10-14-62(52)70-64/h7-36,53,57H,1-6H3.

What are the key properties of 9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole?

9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 903.14 g/mol, XLogP of 18.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzofuran-2-yl-2-[9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4b,8a-dihydrocarbazol-2-yl]-6-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 88887738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).