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

C69H42N4OS — CID 154601825

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

9-dibenzofuran-4-yl-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole (PubChem CID 154601825) has the molecular formula C69H42N4OS and a molecular weight of 975.19 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-dibenzofuran-4-yl-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
• PubChem CID: 154601825
• Molecular Formula: C69H42N4OS
• Molecular Weight: 975.19 g/mol
• Exact Mass: 974.31
• IUPAC Name: 9-dibenzofuran-4-yl-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6sc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8cccc9c8oc8ccccc89)cc7c56)n4)c3)c2)cc1
• InChI: InChI=1S/C69H42N4OS/c1-4-17-43(18-5-1)50-38-51(44-19-6-2-7-20-44)40-52(39-50)46-23-14-24-49(37-46)68-70-67(45-21-8-3-9-22-45)71-69(72-68)56-28-16-32-64-65(56)58-42-48(34-36-63(58)75-64)47-33-35-60-57(41-47)53-25-10-12-29-59(53)73(60)61-30-15-27-55-54-26-11-13-31-62(54)74-66(55)61/h1-42H
• InChIKey: DTKCLIGJXBMYBV-UHFFFAOYSA-N
• XLogP: 18.91
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	975.19
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-dibenzofuran-4-yl-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole (CID 154601825) is 9-dibenzofuran-4-yl-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole.

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

The canonical SMILES for 9-dibenzofuran-4-yl-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6sc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8cccc9c8oc8ccccc89)cc7c56)n4)c3)c2)cc1.

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

The InChIKey is DTKCLIGJXBMYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N4OS/c1-4-17-43(18-5-1)50-38-51(44-19-6-2-7-20-44)40-52(39-50)46-23-14-24-49(37-46)68-70-67(45-21-8-3-9-22-45)71-69(72-68)56-28-16-32-64-65(56)58-42-48(34-36-63(58)75-64)47-33-35-60-57(41-47)53-25-10-12-29-59(53)73(60)61-30-15-27-55-54-26-11-13-31-62(54)74-66(55)61/h1-42H.

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

9-dibenzofuran-4-yl-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole has a molecular weight of 975.19 g/mol, XLogP of 18.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzofuran-4-yl-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 154601825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).