3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole

C60H36F6N4 — CID 162611002

About 3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole

3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 162611002) has the molecular formula C60H36F6N4 and a molecular weight of 926.96 g/mol. Its IUPAC name is 3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
• PubChem CID: 162611002
• Molecular Formula: C60H36F6N4
• Molecular Weight: 926.96 g/mol
• Exact Mass: 926.28
• IUPAC Name: 3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
• SMILES: FC(F)(F)c1cccc(-c2cc(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc2C(F)(F)F)c1
• InChI: InChI=1S/C60H36F6N4/c61-59(62,63)42-19-11-18-39(32-42)47-35-55(69-51-24-9-7-20-45(51)48-33-40(26-28-53(48)69)43-22-12-30-67-57(43)37-14-3-1-4-15-37)56(36-50(47)60(64,65)66)70-52-25-10-8-21-46(52)49-34-41(27-29-54(49)70)44-23-13-31-68-58(44)38-16-5-2-6-17-38/h1-36H
• InChIKey: YPLMUTRCWZWFPT-UHFFFAOYSA-N
• XLogP: 17.04
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.96
LogP ≤ 5	17.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?

The IUPAC name of 3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (CID 162611002) is 3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

What is the SMILES notation for 3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?

The canonical SMILES for 3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is FC(F)(F)c1cccc(-c2cc(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc2C(F)(F)F)c1.

What is the InChIKey of 3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?

The InChIKey is YPLMUTRCWZWFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36F6N4/c61-59(62,63)42-19-11-18-39(32-42)47-35-55(69-51-24-9-7-20-45(51)48-33-40(26-28-53(48)69)43-22-12-30-67-57(43)37-14-3-1-4-15-37)56(36-50(47)60(64,65)66)70-52-25-10-8-21-46(52)49-34-41(27-29-54(49)70)44-23-13-31-68-58(44)38-16-5-2-6-17-38/h1-36H.

What are the key properties of 3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?

3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 926.96 g/mol, XLogP of 17.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 162611002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).