2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole

C₄₅H₃₁NO — CID 118099086

About 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole

2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole (PubChem CID 118099086) has the molecular formula C₄₅H₃₁NO and a molecular weight of 601.75 g/mol. Its IUPAC name is 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole.

Molecular Properties

• Compound Name: 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
• PubChem CID: 118099086
• Molecular Formula: C₄₅H₃₁NO
• Molecular Weight: 601.75 g/mol
• Exact Mass: 601.24
• IUPAC Name: 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
• SMILES: CC1(C)c2cc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)ccc2-c2c1ccc1c2oc2ccccc21
• InChI: InChI=1S/C45H31NO/c1-45(2)38-23-22-35-34-15-9-10-16-42(34)47-44(35)43(38)36-21-18-30(26-39(36)45)31-17-20-33-37-25-29(28-11-5-3-6-12-28)19-24-40(37)46(41(33)27-31)32-13-7-4-8-14-32/h3-27H,1-2H3
• InChIKey: GMHRLIIAVXIIIQ-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.75
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole?

The IUPAC name of 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole (CID 118099086) is 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole.

What is the SMILES notation for 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole?

The canonical SMILES for 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole is CC1(C)c2cc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)ccc2-c2c1ccc1c2oc2ccccc21.

What is the InChIKey of 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole?

The InChIKey is GMHRLIIAVXIIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31NO/c1-45(2)38-23-22-35-34-15-9-10-16-42(34)47-44(35)43(38)36-21-18-30(26-39(36)45)31-17-20-33-37-25-29(28-11-5-3-6-12-28)19-24-40(37)46(41(33)27-31)32-13-7-4-8-14-32/h3-27H,1-2H3.

What are the key properties of 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole?

2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole has a molecular weight of 601.75 g/mol, XLogP of 12.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole is sourced from PubChem (CID 118099086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118099086 — identifiers, structure, computed properties (public domain)

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