2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine

C56H37N3O — CID 164707853

About 2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine

2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine (PubChem CID 164707853) has the molecular formula C56H37N3O and a molecular weight of 767.93 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine
• PubChem CID: 164707853
• Molecular Formula: C56H37N3O
• Molecular Weight: 767.93 g/mol
• Exact Mass: 767.29
• IUPAC Name: 2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5c5c4oc4c(-c6ccc(-c7ccc8ccccc8c7)cc6)cccc45)n3)cc21
• InChI: InChI=1S/C56H37N3O/c1-56(2)48-22-11-10-19-44(48)45-30-29-41(33-49(45)56)54-57-53(37-14-4-3-5-15-37)58-55(59-54)47-32-40-17-8-9-18-42(40)50-46-21-12-20-43(51(46)60-52(47)50)36-26-23-35(24-27-36)39-28-25-34-13-6-7-16-38(34)31-39/h3-33H,1-2H3
• InChIKey: ONOOXCREMRIUGM-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

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine (CID 164707853) is 2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5c5c4oc4c(-c6ccc(-c7ccc8ccccc8c7)cc6)cccc45)n3)cc21.

What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine?

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

What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine?

2-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-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-(9,9-dimethylfluoren-2-yl)-4-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 164707853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).