2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine

C33H29N3O — CID 134199118

About 2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine

2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine (PubChem CID 134199118) has the molecular formula C33H29N3O and a molecular weight of 483.62 g/mol. Its IUPAC name is 2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine
• PubChem CID: 134199118
• Molecular Formula: C33H29N3O
• Molecular Weight: 483.62 g/mol
• Exact Mass: 483.23
• IUPAC Name: 2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine
• SMILES: C=Cc1c(C)oc2cccc(-c3nc(/C(C)=C/C)nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)c12
• InChI: InChI=1S/C33H29N3O/c1-7-19(3)30-34-31(21-16-17-24-23-12-9-10-14-26(23)33(5,6)27(24)18-21)36-32(35-30)25-13-11-15-28-29(25)22(8-2)20(4)37-28/h7-18H,2H2,1,3-6H3/b19-7+
• InChIKey: NEXZKBFVOVMOKM-FBCYGCLPSA-N
• XLogP: 8.63
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine?

The IUPAC name of 2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine (CID 134199118) is 2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine.

What is the SMILES notation for 2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine?

The canonical SMILES for 2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine is C=Cc1c(C)oc2cccc(-c3nc(/C(C)=C/C)nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)c12.

What is the InChIKey of 2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine?

The InChIKey is NEXZKBFVOVMOKM-FBCYGCLPSA-N. The full InChI is InChI=1S/C33H29N3O/c1-7-19(3)30-34-31(21-16-17-24-23-12-9-10-14-26(23)33(5,6)27(24)18-21)36-32(35-30)25-13-11-15-28-29(25)22(8-2)20(4)37-28/h7-18H,2H2,1,3-6H3/b19-7+.

What are the key properties of 2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine?

2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine has a molecular weight of 483.62 g/mol, XLogP of 8.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-but-2-en-2-yl]-4-(9,9-dimethylfluoren-2-yl)-6-(3-ethenyl-2-methyl-1-benzofuran-4-yl)-1,3,5-triazine is sourced from PubChem (CID 134199118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).