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

C46H27N5O2 — CID 153087373

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

2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole (PubChem CID 153087373) has the molecular formula C46H27N5O2 and a molecular weight of 681.76 g/mol. Its IUPAC name is 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
• PubChem CID: 153087373
• Molecular Formula: C46H27N5O2
• Molecular Weight: 681.76 g/mol
• Exact Mass: 681.22
• IUPAC Name: 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
• SMILES: c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc4oc5cc(-c6nc7ccccc7o6)ccc5c34)n2)cc1
• InChI: InChI=1S/C46H27N5O2/c1-2-12-28(13-3-1)43-48-44(29-14-10-15-31(26-29)51-37-20-7-4-16-32(37)33-17-5-8-21-38(33)51)50-45(49-43)35-18-11-23-40-42(35)34-25-24-30(27-41(34)52-40)46-47-36-19-6-9-22-39(36)53-46/h1-27H
• InChIKey: VOLWSQADSFLXHI-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 82.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	681.76
LogP ≤ 5	11.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole (CID 153087373) is 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole.

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

The canonical SMILES for 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc4oc5cc(-c6nc7ccccc7o6)ccc5c34)n2)cc1.

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

The InChIKey is VOLWSQADSFLXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5O2/c1-2-12-28(13-3-1)43-48-44(29-14-10-15-31(26-29)51-37-20-7-4-16-32(37)33-17-5-8-21-38(33)51)50-45(49-43)35-18-11-23-40-42(35)34-25-24-30(27-41(34)52-40)46-47-36-19-6-9-22-39(36)53-46/h1-27H.

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

2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole has a molecular weight of 681.76 g/mol, XLogP of 11.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 153087373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).