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

C54H32F6N4 — CID 155462551

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

9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 155462551) has the molecular formula C54H32F6N4 and a molecular weight of 850.87 g/mol. Its IUPAC name is 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
• PubChem CID: 155462551
• Molecular Formula: C54H32F6N4
• Molecular Weight: 850.87 g/mol
• Exact Mass: 850.25
• IUPAC Name: 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
• SMILES: FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C54H32F6N4/c55-53(56,57)35-26-28-48-41(30-35)42-31-36(54(58,59)60)27-29-49(42)64(48)50-25-13-21-39(44-32-43(33-14-3-1-4-15-33)61-52(62-44)34-16-5-2-6-17-34)51(50)40-20-9-12-24-47(40)63-45-22-10-7-18-37(45)38-19-8-11-23-46(38)63/h1-32H
• InChIKey: DRRFPQCRFPBSCK-UHFFFAOYSA-N
• XLogP: 15.38
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.87
LogP ≤ 5	15.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole (CID 155462551) is 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

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

The canonical SMILES for 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21.

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

The InChIKey is DRRFPQCRFPBSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32F6N4/c55-53(56,57)35-26-28-48-41(30-35)42-31-36(54(58,59)60)27-29-49(42)64(48)50-25-13-21-39(44-32-43(33-14-3-1-4-15-33)61-52(62-44)34-16-5-2-6-17-34)51(50)40-20-9-12-24-47(40)63-45-22-10-7-18-37(45)38-19-8-11-23-46(38)63/h1-32H.

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

9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 850.87 g/mol, XLogP of 15.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 155462551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).