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

C51H32N4O — CID 167293093

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

3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 167293093) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 167293093
• Molecular Formula: C51H32N4O
• Molecular Weight: 716.84 g/mol
• Exact Mass: 716.26
• IUPAC Name: 3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2ccc3c(c2)oc2cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)n5)c4)c23)cc1
• InChI: InChI=1S/C51H32N4O/c1-4-14-33(15-5-1)36-27-29-45-43(31-36)41-22-10-11-24-44(41)55(45)51-53-49(35-18-8-3-9-19-35)52-50(54-51)39-21-12-20-38(30-39)40-23-13-25-46-48(40)42-28-26-37(32-47(42)56-46)34-16-6-2-7-17-34/h1-32H
• InChIKey: FXUZWPACAUHNAU-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.84
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 167293093) is 3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

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

The canonical SMILES for 3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc3c(c2)oc2cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7cc(-c8ccccc8)ccc76)n5)c4)c23)cc1.

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

The InChIKey is FXUZWPACAUHNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-4-14-33(15-5-1)36-27-29-45-43(31-36)41-22-10-11-24-44(41)55(45)51-53-49(35-18-8-3-9-19-35)52-50(54-51)39-21-12-20-38(30-39)40-23-13-25-46-48(40)42-28-26-37(32-47(42)56-46)34-16-6-2-7-17-34/h1-32H.

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

3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 167293093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).