3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

C45H28N4O — CID 146183239

About 3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 146183239) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
• PubChem CID: 146183239
• Molecular Formula: C45H28N4O
• Molecular Weight: 640.75 g/mol
• Exact Mass: 640.23
• IUPAC Name: 3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5cc6ccccc6o5)n4)ccc32)cc1
• InChI: InChI=1S/C45H28N4O/c1-2-14-34(15-3-1)49-39-19-8-7-17-37(39)38-27-33(25-26-40(38)49)44-46-43(47-45(48-44)42-28-32-12-5-9-20-41(32)50-42)31-23-21-30(22-24-31)36-18-10-13-29-11-4-6-16-35(29)36/h1-28H
• InChIKey: JGOZLRJJYWJHQP-UHFFFAOYSA-N
• XLogP: 11.54
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.75
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The IUPAC name of 3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 146183239) is 3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5cc6ccccc6o5)n4)ccc32)cc1.

What is the InChIKey of 3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?

The InChIKey is JGOZLRJJYWJHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-2-14-34(15-3-1)49-39-19-8-7-17-37(39)38-27-33(25-26-40(38)49)44-46-43(47-45(48-44)42-28-32-12-5-9-20-41(32)50-42)31-23-21-30(22-24-31)36-18-10-13-29-11-4-6-16-35(29)36/h1-28H.

What are the key properties of 3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?

3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 640.75 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 146183239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).