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

C51H31N5O — CID 163606891

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

9-[4-carbazol-9-yl-6-(2-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole (PubChem CID 163606891) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(2-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-carbazol-9-yl-6-(2-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
• PubChem CID: 163606891
• Molecular Formula: C51H31N5O
• Molecular Weight: 729.84 g/mol
• Exact Mass: 729.25
• IUPAC Name: 9-[4-carbazol-9-yl-6-(2-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
• SMILES: c1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5-c5ccc6oc7ccccc7c6c5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2)cc1
• InChI: InChI=1S/C51H31N5O/c1-2-14-32(15-3-1)33-26-28-39-38-19-8-12-24-45(38)56(46(39)31-33)51-53-49(52-50(54-51)55-43-22-10-6-17-36(43)37-18-7-11-23-44(37)55)41-21-5-4-16-35(41)34-27-29-48-42(30-34)40-20-9-13-25-47(40)57-48/h1-31H
• InChIKey: HCOJKRBYXZTQDO-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-[4-carbazol-9-yl-6-(2-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole?

The IUPAC name of 9-[4-carbazol-9-yl-6-(2-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole (CID 163606891) is 9-[4-carbazol-9-yl-6-(2-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole.

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

The canonical SMILES for 9-[4-carbazol-9-yl-6-(2-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5-c5ccc6oc7ccccc7c6c5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2)cc1.

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

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

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

9-[4-carbazol-9-yl-6-(2-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole 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-[4-carbazol-9-yl-6-(2-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole is sourced from PubChem (CID 163606891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).