5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole

C69H43F2N3O2 — CID 139552793

About 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 139552793) has the molecular formula C69H43F2N3O2 and a molecular weight of 984.12 g/mol. Its IUPAC name is 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 139552793
• Molecular Formula: C69H43F2N3O2
• Molecular Weight: 984.12 g/mol
• Exact Mass: 983.33
• IUPAC Name: 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
• SMILES: CC(C)(c1c(-c2ccc(F)cc2)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1ccc(F)cc1)n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C69H43F2N3O2/c1-69(2,74-54-23-11-3-15-44(54)45-16-4-12-24-55(45)74)66-62(40-27-31-42(70)32-28-40)58(72-52-21-9-5-19-50(52)64-56(72)37-35-48-46-17-7-13-25-60(46)75-67(48)64)39-59(63(66)41-29-33-43(71)34-30-41)73-53-22-10-6-20-51(53)65-57(73)38-36-49-47-18-8-14-26-61(47)76-68(49)65/h3-39H,1-2H3
• InChIKey: GRQHARQYAGGQIE-UHFFFAOYSA-N
• XLogP: 19.18
• TPSA: 41.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.12
LogP ≤ 5	19.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 139552793) is 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is CC(C)(c1c(-c2ccc(F)cc2)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1ccc(F)cc1)n1c2ccccc2c2ccccc21.

What is the InChIKey of 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is GRQHARQYAGGQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43F2N3O2/c1-69(2,74-54-23-11-3-15-44(54)45-16-4-12-24-55(45)74)66-62(40-27-31-42(70)32-28-40)58(72-52-21-9-5-19-50(52)64-56(72)37-35-48-46-17-7-13-25-60(46)75-67(48)64)39-59(63(66)41-29-33-43(71)34-30-41)73-53-22-10-6-20-51(53)65-57(73)38-36-49-47-18-8-14-26-61(47)76-68(49)65/h3-39H,1-2H3.

What are the key properties of 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 984.12 g/mol, XLogP of 19.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 139552793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).