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

C63H38N4OS — CID 165166733

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

9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-3-(3-phenylphenyl)carbazole (PubChem CID 165166733) has the molecular formula C63H38N4OS and a molecular weight of 899.09 g/mol. Its IUPAC name is 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-3-(3-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-3-(3-phenylphenyl)carbazole
• PubChem CID: 165166733
• Molecular Formula: C63H38N4OS
• Molecular Weight: 899.09 g/mol
• Exact Mass: 898.28
• IUPAC Name: 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-3-(3-phenylphenyl)carbazole
• SMILES: c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5cccc(-c6ccc7oc8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8c7c6)c5c4c3)c2)cc1
• InChI: InChI=1S/C63H38N4OS/c1-4-15-39(16-5-1)42-21-12-22-43(35-42)44-29-32-54-50(36-44)48-23-10-11-26-53(48)67(54)46-31-34-57-52(38-46)60-47(24-14-28-58(60)69-57)45-30-33-55-51(37-45)59-49(25-13-27-56(59)68-55)63-65-61(40-17-6-2-7-18-40)64-62(66-63)41-19-8-3-9-20-41/h1-38H
• InChIKey: DLMBAPBDVWMMNU-UHFFFAOYSA-N
• XLogP: 17.24
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.09
LogP ≤ 5	17.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-3-(3-phenylphenyl)carbazole (CID 165166733) is 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-3-(3-phenylphenyl)carbazole.

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

The canonical SMILES for 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-3-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5cccc(-c6ccc7oc8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8c7c6)c5c4c3)c2)cc1.

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

The InChIKey is DLMBAPBDVWMMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4OS/c1-4-15-39(16-5-1)42-21-12-22-43(35-42)44-29-32-54-50(36-44)48-23-10-11-26-53(48)67(54)46-31-34-57-52(38-46)60-47(24-14-28-58(60)69-57)45-30-33-55-51(37-45)59-49(25-13-27-56(59)68-55)63-65-61(40-17-6-2-7-18-40)64-62(66-63)41-19-8-3-9-20-41/h1-38H.

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

9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-3-(3-phenylphenyl)carbazole has a molecular weight of 899.09 g/mol, XLogP of 17.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-3-(3-phenylphenyl)carbazole is sourced from PubChem (CID 165166733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).