9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole

C51H31N5O — CID 137496813

About 9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole

9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole (PubChem CID 137496813) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

• Compound Name: 9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
• PubChem CID: 137496813
• Molecular Formula: C51H31N5O
• Molecular Weight: 729.84 g/mol
• Exact Mass: 729.25
• IUPAC Name: 9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)cc5c4c3)n2)cc1
• InChI: InChI=1S/C51H31N5O/c1-3-15-32(16-4-1)49-52-50(33-17-5-2-6-18-33)54-51(53-49)34-27-28-47-40(29-34)41-30-35(55-42-23-11-7-19-36(42)37-20-8-12-24-43(37)55)31-46(48(41)57-47)56-44-25-13-9-21-38(44)39-22-10-14-26-45(39)56/h1-31H
• InChIKey: MNNOJFPIQBORCV-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.84
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?

The IUPAC name of 9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole (CID 137496813) is 9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole.

What is the SMILES notation for 9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?

The canonical SMILES for 9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)cc5c4c3)n2)cc1.

What is the InChIKey of 9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?

The InChIKey is MNNOJFPIQBORCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-3-15-32(16-4-1)49-52-50(33-17-5-2-6-18-33)54-51(53-49)34-27-28-47-40(29-34)41-30-35(55-42-23-11-7-19-36(42)37-20-8-12-24-43(37)55)31-46(48(41)57-47)56-44-25-13-9-21-38(44)39-22-10-14-26-45(39)56/h1-31H.

What are the key properties of 9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?

9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 729.84 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 137496813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).