9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole

C60H42F3N5 — CID 156511377

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

9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole (PubChem CID 156511377) has the molecular formula C60H42F3N5 and a molecular weight of 890.03 g/mol. Its IUPAC name is 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
• PubChem CID: 156511377
• Molecular Formula: C60H42F3N5
• Molecular Weight: 890.03 g/mol
• Exact Mass: 889.34
• IUPAC Name: 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
• SMILES: Cc1cc(C)c(-c2ccc3c4ccccc4n(-c4c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc(C(F)(F)F)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)c(C)c1
• InChI: InChI=1S/C60H42F3N5/c1-37-30-38(2)56(39(3)31-37)44-28-29-47-46-26-16-17-27-54(46)68(55(47)32-44)57-48(53-36-52(42-22-12-6-13-23-42)64-58(67-53)43-24-14-7-15-25-43)33-45(60(61,62)63)34-49(57)59-65-50(40-18-8-4-9-19-40)35-51(66-59)41-20-10-5-11-21-41/h4-36H,1-3H3
• InChIKey: DGXHHMUMGLAXRG-UHFFFAOYSA-N
• XLogP: 15.98
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.03
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole (CID 156511377) is 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole.

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

The canonical SMILES for 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c4ccccc4n(-c4c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc(C(F)(F)F)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)c(C)c1.

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

The InChIKey is DGXHHMUMGLAXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42F3N5/c1-37-30-38(2)56(39(3)31-37)44-28-29-47-46-26-16-17-27-54(46)68(55(47)32-44)57-48(53-36-52(42-22-12-6-13-23-42)64-58(67-53)43-24-14-7-15-25-43)33-45(60(61,62)63)34-49(57)59-65-50(40-18-8-4-9-19-40)35-51(66-59)41-20-10-5-11-21-41/h4-36H,1-3H3.

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

9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 890.03 g/mol, XLogP of 15.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 156511377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).