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

C63H38N4O2 — CID 168767909

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

9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole (PubChem CID 168767909) has the molecular formula C63H38N4O2 and a molecular weight of 883.02 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
• PubChem CID: 168767909
• Molecular Formula: C63H38N4O2
• Molecular Weight: 883.02 g/mol
• Exact Mass: 882.30
• IUPAC Name: 9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccc%10c(c9)oc9cc(-c%11ccccc%11)ccc9%10)n8)c7c6c5)ccc43)c2)cc1
• InChI: InChI=1S/C63H38N4O2/c1-4-14-39(15-5-1)42-20-12-21-47(34-42)67-54-24-11-10-22-48(54)52-35-43(28-32-55(52)67)44-29-33-56-53(36-44)60-51(23-13-25-57(60)68-56)63-65-61(41-18-8-3-9-19-41)64-62(66-63)46-27-31-50-49-30-26-45(40-16-6-2-7-17-40)37-58(49)69-59(50)38-46/h1-38H
• InChIKey: BEBIIURBGZHSAG-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.02
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole (CID 168767909) is 9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole.

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

The canonical SMILES for 9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccc%10c(c9)oc9cc(-c%11ccccc%11)ccc9%10)n8)c7c6c5)ccc43)c2)cc1.

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

The InChIKey is BEBIIURBGZHSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4O2/c1-4-14-39(15-5-1)42-20-12-21-47(34-42)67-54-24-11-10-22-48(54)52-35-43(28-32-55(52)67)44-29-33-56-53(36-44)60-51(23-13-25-57(60)68-56)63-65-61(41-18-8-3-9-19-41)64-62(66-63)46-27-31-50-49-30-26-45(40-16-6-2-7-17-40)37-58(49)69-59(50)38-46/h1-38H.

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

9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 883.02 g/mol, XLogP of 16.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 168767909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).