5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole

C69H43F2N3O2 — CID 139552877

About 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 139552877) has the molecular formula C69H43F2N3O2 and a molecular weight of 984.12 g/mol. Its IUPAC name is 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 139552877
• Molecular Formula: C69H43F2N3O2
• Molecular Weight: 984.12 g/mol
• Exact Mass: 983.33
• IUPAC Name: 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
• SMILES: CC(C)(c1c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccccc2F)cc(-c2ccccc2F)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21)n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C69H43F2N3O2/c1-69(2,74-56-31-15-5-21-42(56)43-22-6-16-32-57(43)74)64-65(72-54-29-13-7-25-48(54)62-58(72)37-35-46-44-23-9-17-33-60(44)75-67(46)62)50(40-19-3-11-27-52(40)70)39-51(41-20-4-12-28-53(41)71)66(64)73-55-30-14-8-26-49(55)63-59(73)38-36-47-45-24-10-18-34-61(45)76-68(47)63/h3-39H,1-2H3
• InChIKey: FKQPJTFXWWCUPY-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-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 139552877) is 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is CC(C)(c1c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccccc2F)cc(-c2ccccc2F)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21)n1c2ccccc2c2ccccc21.

What is the InChIKey of 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

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

What are the key properties of 5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole?

5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-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-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 139552877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).