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

C63H38N4O2 — CID 168768081

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

3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole (PubChem CID 168768081) has the molecular formula C63H38N4O2 and a molecular weight of 883.02 g/mol. Its IUPAC name is 3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole.

Molecular Properties

• Compound Name: 3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
• PubChem CID: 168768081
• Molecular Formula: C63H38N4O2
• Molecular Weight: 883.02 g/mol
• Exact Mass: 882.30
• IUPAC Name: 3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
• SMILES: c1ccc(-c2ccc3c(c2)oc2cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7cc(-c8ccc9c(c8)c8cc(-c%10ccccc%10)ccc8n9-c8ccccc8)ccc7c56)n4)ccc23)cc1
• InChI: InChI=1S/C63H38N4O2/c1-5-14-39(15-6-1)42-27-32-54-52(34-42)53-35-43(28-33-55(53)67(54)47-20-11-4-12-21-47)45-25-31-50-59(37-45)68-56-23-13-22-51(60(50)56)63-65-61(41-18-9-3-10-19-41)64-62(66-63)46-26-30-49-48-29-24-44(40-16-7-2-8-17-40)36-57(48)69-58(49)38-46/h1-38H
• InChIKey: SHMLGKZNTHBQHU-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 3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole?

The IUPAC name of 3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole (CID 168768081) is 3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole.

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

The canonical SMILES for 3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole is c1ccc(-c2ccc3c(c2)oc2cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7cc(-c8ccc9c(c8)c8cc(-c%10ccccc%10)ccc8n9-c8ccccc8)ccc7c56)n4)ccc23)cc1.

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

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

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

3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-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 3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 168768081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).