12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole

C84H56F2N4O2 — CID 139552962

IUPAC12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESCC(C)(c1c(-c2ccccc2F)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-c2ccccc2F)c(C(C)(C)n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccc3oc4ccccc4c3c21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C84H56F2N4O2/c1-83(2,89-65-39-19-9-25-49(65)50-26-10-20-40-66(50)89)77-75(57-31-5-15-35-61(57)85)81(87-63-37-17-7-29-53(63)55-45-47-71-73(79(55)87)59-33-13-23-43-69(59)91-71)76(58-32-6-16-36-62(58)86)78(84(3,4)90-67-41-21-11-27-51(67)52-28-12-22-42-68(52)90)82(77)88-64-38-18-8-30-54(64)56-46-48-72-74(80(56)88)60-34-14-24-44-70(60)92-72/h5-48H,1-4H3
InChIKeyIDQXHEBJOFSQDW-UHFFFAOYSA-N
MW1191.39 g/mol
LogP23.07
Rot. Bonds8

About 12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole

12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 139552962) has the molecular formula C84H56F2N4O2 and a molecular weight of 1191.39 g/mol. Its IUPAC name is 12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID139552962
Molecular FormulaC84H56F2N4O2
Molecular Weight1191.39 g/mol
Exact Mass1190.44
IUPAC Name12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESCC(C)(c1c(-c2ccccc2F)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-c2ccccc2F)c(C(C)(C)n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccc3oc4ccccc4c3c21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C84H56F2N4O2/c1-83(2,89-65-39-19-9-25-49(65)50-26-10-20-40-66(50)89)77-75(57-31-5-15-35-61(57)85)81(87-63-37-17-7-29-53(63)55-45-47-71-73(79(55)87)59-33-13-23-43-69(59)91-71)76(58-32-6-16-36-62(58)86)78(84(3,4)90-67-41-21-11-27-51(67)52-28-12-22-42-68(52)90)82(77)88-64-38-18-8-30-54(64)56-46-48-72-74(80(56)88)60-34-14-24-44-70(60)92-72/h5-48H,1-4H3
InChIKeyIDQXHEBJOFSQDW-UHFFFAOYSA-N
XLogP23.07
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001191.39
LogP ≤ 523.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole (CID 139552962) is 12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole is CC(C)(c1c(-c2ccccc2F)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-c2ccccc2F)c(C(C)(C)n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccc3oc4ccccc4c3c21)n1c2ccccc2c2ccccc21.
What is the InChIKey of 12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is IDQXHEBJOFSQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56F2N4O2/c1-83(2,89-65-39-19-9-25-49(65)50-26-10-20-40-66(50)89)77-75(57-31-5-15-35-61(57)85)81(87-63-37-17-7-29-53(63)55-45-47-71-73(79(55)87)59-33-13-23-43-69(59)91-71)76(58-32-6-16-36-62(58)86)78(84(3,4)90-67-41-21-11-27-51(67)52-28-12-22-42-68(52)90)82(77)88-64-38-18-8-30-54(64)56-46-48-72-74(80(56)88)60-34-14-24-44-70(60)92-72/h5-48H,1-4H3.
What are the key properties of 12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole?
12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 1191.39 g/mol, XLogP of 23.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-carbazol-9-ylpropan-2-yl)-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 139552962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).