5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole

C65H37F3N4O2 — CID 139298127

About 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 139298127) has the molecular formula C65H37F3N4O2 and a molecular weight of 963.03 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 139298127
• Molecular Formula: C65H37F3N4O2
• Molecular Weight: 963.03 g/mol
• Exact Mass: 962.29
• IUPAC Name: 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
• SMILES: FC(F)(F)c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
• InChI: InChI=1S/C65H37F3N4O2/c66-65(67,68)41-28-29-42(57(36-41)72-53-24-12-8-22-48(53)61-56(72)34-31-46-44-20-10-14-26-59(44)74-63(46)61)49-35-40(51-37-50(38-15-3-1-4-16-38)69-64(70-51)39-17-5-2-6-18-39)27-32-54(49)71-52-23-11-7-21-47(52)60-55(71)33-30-45-43-19-9-13-25-58(43)73-62(45)60/h1-37H
• InChIKey: UYBLWNZQPBWJNO-UHFFFAOYSA-N
• XLogP: 18.16
• TPSA: 61.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.03
LogP ≤ 5	18.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 139298127) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole is FC(F)(F)c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.

What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is UYBLWNZQPBWJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H37F3N4O2/c66-65(67,68)41-28-29-42(57(36-41)72-53-24-12-8-22-48(53)61-56(72)34-31-46-44-20-10-14-26-59(44)74-63(46)61)49-35-40(51-37-50(38-15-3-1-4-16-38)69-64(70-51)39-17-5-2-6-18-39)27-32-54(49)71-52-23-11-7-21-47(52)60-55(71)33-30-45-43-19-9-13-25-58(43)73-62(45)60/h1-37H.

What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 963.03 g/mol, XLogP of 18.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 139298127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).