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

C71H43F6N3O2 — CID 139552854

IUPAC12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESCC(C)(c1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2ccccc2C(F)(F)F)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C71H43F6N3O2/c1-69(2,80-58-31-15-7-21-42(58)43-22-8-16-32-59(43)80)62-63(78-56-29-13-5-23-44(56)48-35-37-50-46-25-9-17-33-60(46)81-67(50)65(48)78)52(40-19-3-11-27-54(40)70(72,73)74)39-53(41-20-4-12-28-55(41)71(75,76)77)64(62)79-57-30-14-6-24-45(57)49-36-38-51-47-26-10-18-34-61(47)82-68(51)66(49)79/h3-39H,1-2H3
InChIKeyPHIJKLFIZJZWLN-UHFFFAOYSA-N
MW1084.13 g/mol
LogP20.94
Rot. Bonds6

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

12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 139552854) has the molecular formula C71H43F6N3O2 and a molecular weight of 1084.13 g/mol. Its IUPAC name is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID139552854
Molecular FormulaC71H43F6N3O2
Molecular Weight1084.13 g/mol
Exact Mass1083.33
IUPAC Name12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESCC(C)(c1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2ccccc2C(F)(F)F)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C71H43F6N3O2/c1-69(2,80-58-31-15-7-21-42(58)43-22-8-16-32-59(43)80)62-63(78-56-29-13-5-23-44(56)48-35-37-50-46-25-9-17-33-60(46)81-67(50)65(48)78)52(40-19-3-11-27-54(40)70(72,73)74)39-53(41-20-4-12-28-55(41)71(75,76)77)64(62)79-57-30-14-6-24-45(57)49-36-38-51-47-26-10-18-34-61(47)82-68(51)66(49)79/h3-39H,1-2H3
InChIKeyPHIJKLFIZJZWLN-UHFFFAOYSA-N
XLogP20.94
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.13
LogP ≤ 520.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(2-carbazol-9-ylpropan-2-yl)-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-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole (CID 139552854) is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(2-carbazol-9-ylpropan-2-yl)-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-(2-carbazol-9-ylpropan-2-yl)-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-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole is CC(C)(c1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2ccccc2C(F)(F)F)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21)n1c2ccccc2c2ccccc21.
What is the InChIKey of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is PHIJKLFIZJZWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H43F6N3O2/c1-69(2,80-58-31-15-7-21-42(58)43-22-8-16-32-59(43)80)62-63(78-56-29-13-5-23-44(56)48-35-37-50-46-25-9-17-33-60(46)81-67(50)65(48)78)52(40-19-3-11-27-54(40)70(72,73)74)39-53(41-20-4-12-28-55(41)71(75,76)77)64(62)79-57-30-14-6-24-45(57)49-36-38-51-47-26-10-18-34-61(47)82-68(51)66(49)79/h3-39H,1-2H3.
What are the key properties of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 1084.13 g/mol, XLogP of 20.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 139552854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).