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

C43H26N4O — CID 166917822

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

9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole (PubChem CID 166917822) has the molecular formula C43H26N4O and a molecular weight of 614.71 g/mol. Its IUPAC name is 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
• PubChem CID: 166917822
• Molecular Formula: C43H26N4O
• Molecular Weight: 614.71 g/mol
• Exact Mass: 614.21
• IUPAC Name: 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)n2)cc1
• InChI: InChI=1S/C43H26N4O/c1-2-12-27(13-3-1)41-44-42(28-22-23-34-33-18-8-11-21-39(33)48-40(34)26-28)46-43(45-41)35-24-25-38(30-15-5-4-14-29(30)35)47-36-19-9-6-16-31(36)32-17-7-10-20-37(32)47/h1-26H
• InChIKey: RRUKOPRTDMEIRX-UHFFFAOYSA-N
• XLogP: 11.02
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.71
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole (CID 166917822) is 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole.

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

The canonical SMILES for 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)n2)cc1.

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

The InChIKey is RRUKOPRTDMEIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O/c1-2-12-27(13-3-1)41-44-42(28-22-23-34-33-18-8-11-21-39(33)48-40(34)26-28)46-43(45-41)35-24-25-38(30-15-5-4-14-29(30)35)47-36-19-9-6-16-31(36)32-17-7-10-20-37(32)47/h1-26H.

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

9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole has a molecular weight of 614.71 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole is sourced from PubChem (CID 166917822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).