12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-diethyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole

C60H38F6N2O2 — CID 139552724

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

12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-diethyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 139552724) has the molecular formula C60H38F6N2O2 and a molecular weight of 932.96 g/mol. Its IUPAC name is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-diethyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-diethyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
• PubChem CID: 139552724
• Molecular Formula: C60H38F6N2O2
• Molecular Weight: 932.96 g/mol
• Exact Mass: 932.28
• IUPAC Name: 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-diethyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
• SMILES: CCc1c(-c2ccccc2C(F)(F)F)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(CC)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1-c1ccccc1C(F)(F)F
• InChI: InChI=1S/C60H38F6N2O2/c1-3-33-51(43-21-5-11-23-45(43)59(61,62)63)53(67-47-25-13-7-17-35(47)39-29-31-41-37-19-9-15-27-49(37)69-57(41)55(39)67)34(4-2)54(52(33)44-22-6-12-24-46(44)60(64,65)66)68-48-26-14-8-18-36(48)40-30-32-42-38-20-10-16-28-50(38)70-58(42)56(40)68/h5-32H,3-4H2,1-2H3
• InChIKey: XXOVKOCXHLUUNW-UHFFFAOYSA-N
• XLogP: 18.18
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.96
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-diethyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole (CID 139552724) is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-diethyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole.

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

The canonical SMILES for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-diethyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole is CCc1c(-c2ccccc2C(F)(F)F)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(CC)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1-c1ccccc1C(F)(F)F.

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

The InChIKey is XXOVKOCXHLUUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38F6N2O2/c1-3-33-51(43-21-5-11-23-45(43)59(61,62)63)53(67-47-25-13-7-17-35(47)39-29-31-41-37-19-9-15-27-49(37)69-57(41)55(39)67)34(4-2)54(52(33)44-22-6-12-24-46(44)60(64,65)66)68-48-26-14-8-18-36(48)40-30-32-42-38-20-10-16-28-50(38)70-58(42)56(40)68/h5-32H,3-4H2,1-2H3.

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

12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-diethyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 932.96 g/mol, XLogP of 18.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-diethyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 139552724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).