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

C69H42N4O2 — CID 142569274

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

1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (PubChem CID 142569274) has the molecular formula C69H42N4O2 and a molecular weight of 959.12 g/mol. Its IUPAC name is 1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
• PubChem CID: 142569274
• Molecular Formula: C69H42N4O2
• Molecular Weight: 959.12 g/mol
• Exact Mass: 958.33
• IUPAC Name: 1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c5ccccc5n(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c5)c34)c2)cc1
• InChI: InChI=1S/C69H42N4O2/c1-3-17-43(18-4-1)49-38-50(40-51(39-49)54-29-16-31-60-57-27-9-12-34-63(57)75-66(54)60)53-28-15-30-59-55-25-7-10-32-61(55)73(65(53)59)52-24-14-22-46(41-52)45-21-13-23-47(37-45)68-70-67(44-19-5-2-6-20-44)71-69(72-68)48-35-36-58-56-26-8-11-33-62(56)74-64(58)42-48/h1-42H
• InChIKey: BAHFAEFNYCJSRL-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.12
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (CID 142569274) is 1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c5ccccc5n(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6)c5)c34)c2)cc1.

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

The InChIKey is BAHFAEFNYCJSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N4O2/c1-3-17-43(18-4-1)49-38-50(40-51(39-49)54-29-16-31-60-57-27-9-12-34-63(57)75-66(54)60)53-28-15-30-59-55-25-7-10-32-61(55)73(65(53)59)52-24-14-22-46(41-52)45-21-13-23-47(37-45)68-70-67(44-19-5-2-6-20-44)71-69(72-68)48-35-36-58-56-26-8-11-33-62(56)74-64(58)42-48/h1-42H.

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

1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 959.12 g/mol, XLogP of 18.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 142569274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).