12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole

C56H34F2N2O2 — CID 139553231

About 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole

12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 139553231) has the molecular formula C56H34F2N2O2 and a molecular weight of 804.90 g/mol. Its IUPAC name is 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole
• PubChem CID: 139553231
• Molecular Formula: C56H34F2N2O2
• Molecular Weight: 804.90 g/mol
• Exact Mass: 804.26
• IUPAC Name: 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole
• SMILES: Cc1c(-c2ccccc2F)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1-c1ccccc1F
• InChI: InChI=1S/C56H34F2N2O2/c1-31-49(41-19-3-9-21-43(41)57)51(59-45-23-11-5-15-33(45)37-27-29-39-35-17-7-13-25-47(35)61-55(39)53(37)59)32(2)52(50(31)42-20-4-10-22-44(42)58)60-46-24-12-6-16-34(46)38-28-30-40-36-18-8-14-26-48(36)62-56(40)54(38)60/h3-30H,1-2H3
• InChIKey: YGSCAROVNCZEIK-UHFFFAOYSA-N
• XLogP: 15.91
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.90
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole?

The IUPAC name of 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole (CID 139553231) is 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole.

What is the SMILES notation for 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole?

The canonical SMILES for 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole is Cc1c(-c2ccccc2F)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1-c1ccccc1F.

What is the InChIKey of 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole?

The InChIKey is YGSCAROVNCZEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34F2N2O2/c1-31-49(41-19-3-9-21-43(41)57)51(59-45-23-11-5-15-33(45)37-27-29-39-35-17-7-13-25-47(35)61-55(39)53(37)59)32(2)52(50(31)42-20-4-10-22-44(42)58)60-46-24-12-6-16-34(46)38-28-30-40-36-18-8-14-26-48(36)62-56(40)54(38)60/h3-30H,1-2H3.

What are the key properties of 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole?

12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 804.90 g/mol, XLogP of 15.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-dimethylphenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 139553231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).