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

C60H42F2N2O2 — CID 139553239

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

12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-di(propan-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 139553239) has the molecular formula C60H42F2N2O2 and a molecular weight of 861.00 g/mol. Its IUPAC name is 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-di(propan-2-yl)phenyl]-[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-di(propan-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
• PubChem CID: 139553239
• Molecular Formula: C60H42F2N2O2
• Molecular Weight: 861.00 g/mol
• Exact Mass: 860.32
• IUPAC Name: 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-di(propan-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
• SMILES: CC(C)c1c(-c2ccccc2F)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C(C)C)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1-c1ccccc1F
• InChI: InChI=1S/C60H42F2N2O2/c1-33(2)51-53(43-21-5-11-23-45(43)61)57(63-47-25-13-7-17-35(47)39-29-31-41-37-19-9-15-27-49(37)65-59(41)55(39)63)52(34(3)4)58(54(51)44-22-6-12-24-46(44)62)64-48-26-14-8-18-36(48)40-30-32-42-38-20-10-16-28-50(38)66-60(42)56(40)64/h5-34H,1-4H3
• InChIKey: BWWZKFWYSMIOOM-UHFFFAOYSA-N
• XLogP: 17.54
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.00
LogP ≤ 5	17.54
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-di(propan-2-yl)phenyl]-[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-di(propan-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole (CID 139553239) is 12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-di(propan-2-yl)phenyl]-[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-di(propan-2-yl)phenyl]-[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-di(propan-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole is CC(C)c1c(-c2ccccc2F)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C(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-di(propan-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole?

The InChIKey is BWWZKFWYSMIOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42F2N2O2/c1-33(2)51-53(43-21-5-11-23-45(43)61)57(63-47-25-13-7-17-35(47)39-29-31-41-37-19-9-15-27-49(37)65-59(41)55(39)63)52(34(3)4)58(54(51)44-22-6-12-24-46(44)62)64-48-26-14-8-18-36(48)40-30-32-42-38-20-10-16-28-50(38)66-60(42)56(40)64/h5-34H,1-4H3.

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

12-[5-([1]benzofuro[2,3-a]carbazol-12-yl)-2,4-bis(2-fluorophenyl)-3,6-di(propan-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 861.00 g/mol, XLogP of 17.54, 6 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-di(propan-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 139553239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).