2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole

C59H34F9N5 — CID 156511373

About 2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole

2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole (PubChem CID 156511373) has the molecular formula C59H34F9N5 and a molecular weight of 983.94 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole
• PubChem CID: 156511373
• Molecular Formula: C59H34F9N5
• Molecular Weight: 983.94 g/mol
• Exact Mass: 983.27
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole
• SMILES: FC(F)(F)c1cc(-c2ccc3c4ccccc4n(-c4c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc(C(F)(F)F)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C59H34F9N5/c60-57(61,62)41-27-40(28-42(30-41)58(63,64)65)39-25-26-45-44-23-13-14-24-52(44)73(53(45)29-39)54-46(51-34-50(37-19-9-3-10-20-37)69-55(72-51)38-21-11-4-12-22-38)31-43(59(66,67)68)32-47(54)56-70-48(35-15-5-1-6-16-35)33-49(71-56)36-17-7-2-8-18-36/h1-34H
• InChIKey: LGIQDPAJBZCTJN-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.94
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole (CID 156511373) is 2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole.

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

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1cc(-c2ccc3c4ccccc4n(-c4c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc(C(F)(F)F)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1.

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

The InChIKey is LGIQDPAJBZCTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34F9N5/c60-57(61,62)41-27-40(28-42(30-41)58(63,64)65)39-25-26-45-44-23-13-14-24-52(44)73(53(45)29-39)54-46(51-34-50(37-19-9-3-10-20-37)69-55(72-51)38-21-11-4-12-22-38)31-43(59(66,67)68)32-47(54)56-70-48(35-15-5-1-6-16-35)33-49(71-56)36-17-7-2-8-18-36/h1-34H.

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

2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole has a molecular weight of 983.94 g/mol, XLogP of 17.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 156511373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).