7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine

C60H37F2N5OS — CID 146250987

About 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine

7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine (PubChem CID 146250987) has the molecular formula C60H37F2N5OS and a molecular weight of 914.05 g/mol. Its IUPAC name is 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

• Compound Name: 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
• PubChem CID: 146250987
• Molecular Formula: C60H37F2N5OS
• Molecular Weight: 914.05 g/mol
• Exact Mass: 913.27
• IUPAC Name: 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
• SMILES: Fc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c4nsnc34)cc2)cc1
• InChI: InChI=1S/C60H37F2N5OS/c61-43-22-14-38(15-23-43)41-20-33-52-50(36-41)51-37-42(39-16-24-44(62)25-17-39)21-34-53(51)66(52)47-26-18-40(19-27-47)49-32-35-56(60-59(49)63-69-64-60)65(45-8-2-1-3-9-45)46-28-30-48(31-29-46)67-54-10-4-6-12-57(54)68-58-13-7-5-11-55(58)67/h1-37H
• InChIKey: LCGKGINJDFBCGJ-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 46.42 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.05
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine?

The IUPAC name of 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine (CID 146250987) is 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine.

What is the SMILES notation for 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine?

The canonical SMILES for 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine is Fc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c4nsnc34)cc2)cc1.

What is the InChIKey of 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine?

The InChIKey is LCGKGINJDFBCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37F2N5OS/c61-43-22-14-38(15-23-43)41-20-33-52-50(36-41)51-37-42(39-16-24-44(62)25-17-39)21-34-53(51)66(52)47-26-18-40(19-27-47)49-32-35-56(60-59(49)63-69-64-60)65(45-8-2-1-3-9-45)46-28-30-48(31-29-46)67-54-10-4-6-12-57(54)68-58-13-7-5-11-55(58)67/h1-37H.

What are the key properties of 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine?

7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine has a molecular weight of 914.05 g/mol, XLogP of 17.11, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 146250987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).