2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine

C54H35N3O — CID 146183144

About 2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine

2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 146183144) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 146183144
• Molecular Formula: C54H35N3O
• Molecular Weight: 741.89 g/mol
• Exact Mass: 741.28
• IUPAC Name: 2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)c2)cc1
• InChI: InChI=1S/C54H35N3O/c1-4-15-36(16-5-1)39-18-14-19-41(33-39)52-55-51(38-29-27-37(28-30-38)50-35-40-17-10-13-26-49(40)58-50)56-53(57-52)42-31-32-46-45-24-11-12-25-47(45)54(48(46)34-42,43-20-6-2-7-21-43)44-22-8-3-9-23-44/h1-35H
• InChIKey: QDROCYSEIMOABZ-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.89
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 146183144) is 2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)c2)cc1.

What is the InChIKey of 2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?

The InChIKey is QDROCYSEIMOABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-4-15-36(16-5-1)39-18-14-19-41(33-39)52-55-51(38-29-27-37(28-30-38)50-35-40-17-10-13-26-49(40)58-50)56-53(57-52)42-31-32-46-45-24-11-12-25-47(45)54(48(46)34-42,43-20-6-2-7-21-43)44-22-8-3-9-23-44/h1-35H.

What are the key properties of 2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?

2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 741.89 g/mol, XLogP of 13.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146183144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).