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

C35H21F3N4O — CID 20641036

IUPAC(E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
SMILESFC(F)(F)/C(=N\n1c2ccccc2c2ccccc21)c1cc2cc(/C=N/n3c4ccccc4c4ccccc43)ccc2o1
InChIInChI=1S/C35H21F3N4O/c36-35(37,38)34(40-42-30-15-7-3-11-26(30)27-12-4-8-16-31(27)42)33-20-23-19-22(17-18-32(23)43-33)21-39-41-28-13-5-1-9-24(28)25-10-2-6-14-29(25)41/h1-21H/b39-21+,40-34-
InChIKeyNTHVWDWJMIHFJQ-HNOMXKGISA-N
MW570.57 g/mol
LogP9.35
Rot. Bonds4

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

(E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine (PubChem CID 20641036) has the molecular formula C35H21F3N4O and a molecular weight of 570.57 g/mol. Its IUPAC name is (E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine.

Molecular Properties

Compound Name(E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
PubChem CID20641036
Molecular FormulaC35H21F3N4O
Molecular Weight570.57 g/mol
Exact Mass570.17
IUPAC Name(E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
SMILESFC(F)(F)/C(=N\n1c2ccccc2c2ccccc21)c1cc2cc(/C=N/n3c4ccccc4c4ccccc43)ccc2o1
InChIInChI=1S/C35H21F3N4O/c36-35(37,38)34(40-42-30-15-7-3-11-26(30)27-12-4-8-16-31(27)42)33-20-23-19-22(17-18-32(23)43-33)21-39-41-28-13-5-1-9-24(28)25-10-2-6-14-29(25)41/h1-21H/b39-21+,40-34-
InChIKeyNTHVWDWJMIHFJQ-HNOMXKGISA-N
XLogP9.35
TPSA47.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.57
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Biphenyl-4-yl-(3'-carbazol-9-yl-biphenyl-4-yl)-(4-dibenzofuran-4-yl-phenyl)-amine
CID 118952247
N-phenyl-N-[(E)-[2-[(Z)-N-(N-phenylanilino)-C-(trifluoromethyl)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]aniline
CID 20641028
(E)-N-(9H-acridin-10-yl)-1-[5-[(E)-9H-acridin-10-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 20641035
N-phenyl-N-[[2-[N-(N-phenylanilino)-C-(trifluoromethyl)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]aniline
CID 53957015
N-carbazol-9-yl-1-[5-(9H-fluoren-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 54291095
[4-[3-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]carbazol-9-yl]phenyl] trifluoromethanesulfonate
CID 58568917
3-(1-Benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 59066124
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-(9H-acridin-10-yl)-1-[5-(9H-acridin-10-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 73691602
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

Frequently Asked Questions

What is the IUPAC name of (E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine?
The IUPAC name of (E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine (CID 20641036) is (E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine.
What is the SMILES notation for (E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine?
The canonical SMILES for (E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine is FC(F)(F)/C(=N\n1c2ccccc2c2ccccc21)c1cc2cc(/C=N/n3c4ccccc4c4ccccc43)ccc2o1.
What is the InChIKey of (E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine?
The InChIKey is NTHVWDWJMIHFJQ-HNOMXKGISA-N. The full InChI is InChI=1S/C35H21F3N4O/c36-35(37,38)34(40-42-30-15-7-3-11-26(30)27-12-4-8-16-31(27)42)33-20-23-19-22(17-18-32(23)43-33)21-39-41-28-13-5-1-9-24(28)25-10-2-6-14-29(25)41/h1-21H/b39-21+,40-34-.
What are the key properties of (E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine?
(E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine has a molecular weight of 570.57 g/mol, XLogP of 9.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine is sourced from PubChem (CID 20641036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).