7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine

C68H40F6N4OS — CID 146251091

About 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine

7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 146251091) has the molecular formula C68H40F6N4OS and a molecular weight of 1075.15 g/mol. Its IUPAC name is 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

• Compound Name: 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
• PubChem CID: 146251091
• Molecular Formula: C68H40F6N4OS
• Molecular Weight: 1075.15 g/mol
• Exact Mass: 1074.28
• IUPAC Name: 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
• SMILES: FC(F)(F)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4nsnc34)cc2)cc1
• InChI: InChI=1S/C68H40F6N4OS/c69-67(70,71)49-25-13-43(14-26-49)47-23-36-60-58(39-47)59-40-48(44-15-27-50(28-16-44)68(72,73)74)24-37-61(59)78(60)53-33-19-45(20-34-53)54-35-38-62(65-64(54)75-80-76-65)77(51-29-17-42(18-30-51)41-7-2-1-3-8-41)52-31-21-46(22-32-52)55-10-6-11-57-56-9-4-5-12-63(56)79-66(55)57/h1-40H
• InChIKey: LEVSOSIROSPBDK-UHFFFAOYSA-N
• XLogP: 20.53
• TPSA: 47.09 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1075.15
LogP ≤ 5	20.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?

The IUPAC name of 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine (CID 146251091) is 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine.

What is the SMILES notation for 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?

The canonical SMILES for 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine is FC(F)(F)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4nsnc34)cc2)cc1.

What is the InChIKey of 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?

The InChIKey is LEVSOSIROSPBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40F6N4OS/c69-67(70,71)49-25-13-43(14-26-49)47-23-36-60-58(39-47)59-40-48(44-15-27-50(28-16-44)68(72,73)74)24-37-61(59)78(60)53-33-19-45(20-34-53)54-35-38-62(65-64(54)75-80-76-65)77(51-29-17-42(18-30-51)41-7-2-1-3-8-41)52-31-21-46(22-32-52)55-10-6-11-57-56-9-4-5-12-63(56)79-66(55)57/h1-40H.

What are the key properties of 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine?

7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 1075.15 g/mol, XLogP of 20.53, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[3,6-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 146251091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).