3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole

C51H30N4O2 — CID 170080874

About 3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole

3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole (PubChem CID 170080874) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole.

Molecular Properties

• Compound Name: 3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
• PubChem CID: 170080874
• Molecular Formula: C51H30N4O2
• Molecular Weight: 730.83 g/mol
• Exact Mass: 730.24
• IUPAC Name: 3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
• SMILES: c1ccc(-c2ccc3c(c2)oc2c(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7cccc8c7oc7ccccc78)n6)ccc54)cccc23)cc1
• InChI: InChI=1S/C51H30N4O2/c1-3-13-31(14-4-1)33-25-27-37-39-20-12-23-44(48(39)57-46(37)30-33)55-42-22-9-7-17-35(42)41-29-34(26-28-43(41)55)50-52-49(32-15-5-2-6-16-32)53-51(54-50)40-21-11-19-38-36-18-8-10-24-45(36)56-47(38)40/h1-30H
• InChIKey: JWMBILAIABOPQV-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.83
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole?

The IUPAC name of 3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole (CID 170080874) is 3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole.

What is the SMILES notation for 3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole?

The canonical SMILES for 3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole is c1ccc(-c2ccc3c(c2)oc2c(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7cccc8c7oc7ccccc78)n6)ccc54)cccc23)cc1.

What is the InChIKey of 3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole?

The InChIKey is JWMBILAIABOPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-3-13-31(14-4-1)33-25-27-37-39-20-12-23-44(48(39)57-46(37)30-33)55-42-22-9-7-17-35(42)41-29-34(26-28-43(41)55)50-52-49(32-15-5-2-6-16-32)53-51(54-50)40-21-11-19-38-36-18-8-10-24-45(36)56-47(38)40/h1-30H.

What are the key properties of 3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole?

3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole has a molecular weight of 730.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole is sourced from PubChem (CID 170080874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).