2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

C56H37N3O — CID 153369056

About 2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 153369056) has the molecular formula C56H37N3O and a molecular weight of 767.93 g/mol. Its IUPAC name is 2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 153369056
• Molecular Formula: C56H37N3O
• Molecular Weight: 767.93 g/mol
• Exact Mass: 767.29
• IUPAC Name: 2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c(-c3ccc4c(ccc5cc(-c6ccc7oc8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8c7c6)ccc54)c3)cccc21
• InChI: InChI=1S/C56H37N3O/c1-56(2)47-20-10-9-17-44(47)51-43(18-11-21-48(51)56)40-26-29-42-39(32-40)24-23-38-31-36(25-28-41(38)42)37-27-30-49-46(33-37)52-45(19-12-22-50(52)60-49)55-58-53(34-13-5-3-6-14-34)57-54(59-55)35-15-7-4-8-16-35/h3-33H,1-2H3
• InChIKey: QFUTWMCNRDPFAU-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.93
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 153369056) is 2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3ccc4c(ccc5cc(-c6ccc7oc8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8c7c6)ccc54)c3)cccc21.

What is the InChIKey of 2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is QFUTWMCNRDPFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3O/c1-56(2)47-20-10-9-17-44(47)51-43(18-11-21-48(51)56)40-26-29-42-39(32-40)24-23-38-31-36(25-28-41(38)42)37-27-30-49-46(33-37)52-45(19-12-22-50(52)60-49)55-58-53(34-13-5-3-6-14-34)57-54(59-55)35-15-7-4-8-16-35/h3-33H,1-2H3.

What are the key properties of 2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?

2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 767.93 g/mol, XLogP of 14.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 153369056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).