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

C51H30N4O2 — CID 176607555

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

9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole (PubChem CID 176607555) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
• PubChem CID: 176607555
• Molecular Formula: C51H30N4O2
• Molecular Weight: 730.83 g/mol
• Exact Mass: 730.24
• IUPAC Name: 9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5cccc(-c6ccccc6-n6c7ccccc7c7ccccc76)c5c34)n2)cc1
• InChI: InChI=1S/C51H30N4O2/c1-2-14-31(15-3-1)49-52-50(32-28-29-37-36-19-7-11-25-43(36)56-46(37)30-32)54-51(53-49)39-21-13-27-45-48(39)47-38(20-12-26-44(47)57-45)35-18-6-10-24-42(35)55-40-22-8-4-16-33(40)34-17-5-9-23-41(34)55/h1-30H
• InChIKey: XDMZTWPFBJSQFG-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 9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole?

The IUPAC name of 9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole (CID 176607555) is 9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole.

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

The canonical SMILES for 9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5cccc(-c6ccccc6-n6c7ccccc7c7ccccc76)c5c34)n2)cc1.

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

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

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

9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]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 9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole is sourced from PubChem (CID 176607555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).