9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole

C66H44N4OS — CID 166737531

About 9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole

9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 166737531) has the molecular formula C66H44N4OS and a molecular weight of 941.17 g/mol. Its IUPAC name is 9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 166737531
• Molecular Formula: C66H44N4OS
• Molecular Weight: 941.17 g/mol
• Exact Mass: 940.32
• IUPAC Name: 9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole
• SMILES: Cc1ccccc1-c1cc(-c2ccc3oc4cccc(-c5nc(-c6ccc7c(c6)sc6ccccc67)nc(-n6c7ccccc7c7ccccc76)n5)c4c3c2)ccc1C(C)c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C66H44N4OS/c1-40-16-6-7-21-48(40)55-37-45(30-33-49(55)41(2)43-19-14-20-44(36-43)42-17-4-3-5-18-42)46-32-35-59-56(38-46)63-54(25-15-28-60(63)71-59)65-67-64(47-31-34-53-52-24-10-13-29-61(52)72-62(53)39-47)68-66(69-65)70-57-26-11-8-22-50(57)51-23-9-12-27-58(51)70/h3-39,41H,1-2H3
• InChIKey: CVFDBXBTUCPQRT-UHFFFAOYSA-N
• XLogP: 18.03
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.17
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole (CID 166737531) is 9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole is Cc1ccccc1-c1cc(-c2ccc3oc4cccc(-c5nc(-c6ccc7c(c6)sc6ccccc67)nc(-n6c7ccccc7c7ccccc76)n5)c4c3c2)ccc1C(C)c1cccc(-c2ccccc2)c1.

What is the InChIKey of 9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole?

The InChIKey is CVFDBXBTUCPQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N4OS/c1-40-16-6-7-21-48(40)55-37-45(30-33-49(55)41(2)43-19-14-20-44(36-43)42-17-4-3-5-18-42)46-32-35-59-56(38-46)63-54(25-15-28-60(63)71-59)65-67-64(47-31-34-53-52-24-10-13-29-61(52)72-62(53)39-47)68-66(69-65)70-57-26-11-8-22-50(57)51-23-9-12-27-58(51)70/h3-39,41H,1-2H3.

What are the key properties of 9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole?

9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 941.17 g/mol, XLogP of 18.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 166737531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).