2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole

C60H36F6N4 — CID 142502050

About 2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole

2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 142502050) has the molecular formula C60H36F6N4 and a molecular weight of 926.96 g/mol. Its IUPAC name is 2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
• PubChem CID: 142502050
• Molecular Formula: C60H36F6N4
• Molecular Weight: 926.96 g/mol
• Exact Mass: 926.28
• IUPAC Name: 2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
• SMILES: FC(F)(F)c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C(F)(F)F)cc2-n2c3ccccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1
• InChI: InChI=1S/C60H36F6N4/c61-59(62,63)44-17-11-16-41(30-44)49-33-58(70-54-21-10-8-19-46(54)48-27-23-40(32-56(48)70)43-25-29-52(68-36-43)38-14-5-2-6-15-38)50(60(64,65)66)34-57(49)69-53-20-9-7-18-45(53)47-26-22-39(31-55(47)69)42-24-28-51(67-35-42)37-12-3-1-4-13-37/h1-36H
• InChIKey: AUQRBCQDTZIHEZ-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 2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?

The IUPAC name of 2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (CID 142502050) is 2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

What is the SMILES notation for 2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?

The canonical SMILES for 2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is FC(F)(F)c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C(F)(F)F)cc2-n2c3ccccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1.

What is the InChIKey of 2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?

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

What are the key properties of 2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?

2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(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 2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 142502050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).