N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C54H35FN2O — CID 90194085

IUPACN-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C54H35FN2O/c55-42-24-14-36(15-25-42)37-16-26-44(27-17-37)56(46-30-20-39(21-31-46)41-22-32-49-48-11-5-7-13-53(48)58-54(49)35-41)45-28-18-38(19-29-45)40-23-33-52-50(34-40)47-10-4-6-12-51(47)57(52)43-8-2-1-3-9-43/h1-35H
InChIKeyGBHFSKYVPQCKQD-UHFFFAOYSA-N
MW746.89 g/mol
LogP15.29
Rot. Bonds7

About N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 90194085) has the molecular formula C54H35FN2O and a molecular weight of 746.89 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID90194085
Molecular FormulaC54H35FN2O
Molecular Weight746.89 g/mol
Exact Mass746.27
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C54H35FN2O/c55-42-24-14-36(15-25-42)37-16-26-44(27-17-37)56(46-30-20-39(21-31-46)41-22-32-49-48-11-5-7-13-53(48)58-54(49)35-41)45-28-18-38(19-29-45)40-23-33-52-50(34-40)47-10-4-6-12-51(47)57(52)43-8-2-1-3-9-43/h1-35H
InChIKeyGBHFSKYVPQCKQD-UHFFFAOYSA-N
XLogP15.29
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.89
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 90194085) is N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is GBHFSKYVPQCKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35FN2O/c55-42-24-14-36(15-25-42)37-16-26-44(27-17-37)56(46-30-20-39(21-31-46)41-22-32-49-48-11-5-7-13-53(48)58-54(49)35-41)45-28-18-38(19-29-45)40-23-33-52-50(34-40)47-10-4-6-12-51(47)57(52)43-8-2-1-3-9-43/h1-35H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 746.89 g/mol, XLogP of 15.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 90194085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).