9-[3-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-carbazol-9-ylphenyl]carbazole

C47H29N5O — CID 146183097

About 9-[3-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-carbazol-9-ylphenyl]carbazole

9-[3-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-carbazol-9-ylphenyl]carbazole (PubChem CID 146183097) has the molecular formula C47H29N5O and a molecular weight of 679.78 g/mol. Its IUPAC name is 9-[3-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-carbazol-9-ylphenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-carbazol-9-ylphenyl]carbazole
• PubChem CID: 146183097
• Molecular Formula: C47H29N5O
• Molecular Weight: 679.78 g/mol
• Exact Mass: 679.24
• IUPAC Name: 9-[3-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-carbazol-9-ylphenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cc4ccccc4o3)n2)cc1
• InChI: InChI=1S/C47H29N5O/c1-2-14-30(15-3-1)45-48-46(50-47(49-45)44-28-31-16-4-13-25-43(31)53-44)32-26-33(51-39-21-9-5-17-35(39)36-18-6-10-22-40(36)51)29-34(27-32)52-41-23-11-7-19-37(41)38-20-8-12-24-42(38)52/h1-29H
• InChIKey: HAJTWBYWUFGTOH-UHFFFAOYSA-N
• XLogP: 11.81
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.78
LogP ≤ 5	11.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[3-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-carbazol-9-ylphenyl]carbazole (CID 146183097) is 9-[3-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-carbazol-9-ylphenyl]carbazole.

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

The canonical SMILES for 9-[3-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-carbazol-9-ylphenyl]carbazole is c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cc4ccccc4o3)n2)cc1.

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

The InChIKey is HAJTWBYWUFGTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5O/c1-2-14-30(15-3-1)45-48-46(50-47(49-45)44-28-31-16-4-13-25-43(31)53-44)32-26-33(51-39-21-9-5-17-35(39)36-18-6-10-22-40(36)51)29-34(27-32)52-41-23-11-7-19-37(41)38-20-8-12-24-42(38)52/h1-29H.

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

9-[3-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-carbazol-9-ylphenyl]carbazole has a molecular weight of 679.78 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-carbazol-9-ylphenyl]carbazole is sourced from PubChem (CID 146183097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).