N-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine

C36H22F3N3O — CID 54291095

IUPACN-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
SMILESFC(F)(F)C(=Nn1c2ccccc2c2ccccc21)c1cc2cc(/C=N/C3c4ccccc4-c4ccccc43)ccc2o1
InChIInChI=1S/C36H22F3N3O/c37-36(38,39)35(41-42-30-15-7-5-11-26(30)27-12-6-8-16-31(27)42)33-20-23-19-22(17-18-32(23)43-33)21-40-34-28-13-3-1-9-24(28)25-10-2-4-14-29(25)34/h1-21,34H/b40-21+,41-35?
InChIKeyRXOJFXLJKUZZFA-OODCOWEASA-N
MW569.59 g/mol
LogP9.54
Rot. Bonds4

About N-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine

N-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine (PubChem CID 54291095) has the molecular formula C36H22F3N3O and a molecular weight of 569.59 g/mol. Its IUPAC name is N-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine.

Molecular Properties

Compound NameN-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
PubChem CID54291095
Molecular FormulaC36H22F3N3O
Molecular Weight569.59 g/mol
Exact Mass569.17
IUPAC NameN-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
SMILESFC(F)(F)C(=Nn1c2ccccc2c2ccccc21)c1cc2cc(/C=N/C3c4ccccc4-c4ccccc43)ccc2o1
InChIInChI=1S/C36H22F3N3O/c37-36(38,39)35(41-42-30-15-7-5-11-26(30)27-12-6-8-16-31(27)42)33-20-23-19-22(17-18-32(23)43-33)21-40-34-28-13-3-1-9-24(28)25-10-2-4-14-29(25)34/h1-21,34H/b40-21+,41-35?
InChIKeyRXOJFXLJKUZZFA-OODCOWEASA-N
XLogP9.54
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.59
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 20641036
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230151
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230295
N-carbazol-9-yl-1-[5-(carbazol-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 73691603
N-(4-dibenzofuran-4-ylphenyl)-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 89531451
3-Dibenzofuran-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 90180764
2-Dibenzofuran-2-yl-9-fluoro-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 90297772
3-Dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole
CID 118488388
CID 118892004
CID 118892004
3-[2-[5-Carbazol-9-yl-2-fluoro-3-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 118945770
9-(3-Dibenzofuran-2-ylphenyl)-4-fluorocarbazole
CID 121419669
9-[3-(9-Fluorodibenzofuran-2-yl)phenyl]carbazole
CID 121420280

Frequently Asked Questions

What is the IUPAC name of N-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine?
The IUPAC name of N-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine (CID 54291095) is N-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine.
What is the SMILES notation for N-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine?
The canonical SMILES for N-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine is FC(F)(F)C(=Nn1c2ccccc2c2ccccc21)c1cc2cc(/C=N/C3c4ccccc4-c4ccccc43)ccc2o1.
What is the InChIKey of N-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine?
The InChIKey is RXOJFXLJKUZZFA-OODCOWEASA-N. The full InChI is InChI=1S/C36H22F3N3O/c37-36(38,39)35(41-42-30-15-7-5-11-26(30)27-12-6-8-16-31(27)42)33-20-23-19-22(17-18-32(23)43-33)21-40-34-28-13-3-1-9-24(28)25-10-2-4-14-29(25)34/h1-21,34H/b40-21+,41-35?.
What are the key properties of N-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine?
N-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine has a molecular weight of 569.59 g/mol, XLogP of 9.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine is sourced from PubChem (CID 54291095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).