N-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline

C54H35FN2O — CID 169073665

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline
SMILESFc1cccc2c3ccccc3n(-c3ccccc3-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc4-c4ccccc4)cc3)c12
InChIInChI=1S/C54H35FN2O/c55-47-22-12-21-45-44-18-6-10-25-50(44)57(54(45)47)49-24-9-5-17-42(49)37-28-32-39(33-29-37)56(48-23-8-4-16-41(48)36-14-2-1-3-15-36)40-34-30-38(31-35-40)43-20-13-27-52-53(43)46-19-7-11-26-51(46)58-52/h1-35H
InChIKeyPLEXSMOZESHCKB-UHFFFAOYSA-N
MW746.89 g/mol
LogP15.29
Rot. Bonds7

About N-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline

N-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline (PubChem CID 169073665) has the molecular formula C54H35FN2O and a molecular weight of 746.89 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline
PubChem CID169073665
Molecular FormulaC54H35FN2O
Molecular Weight746.89 g/mol
Exact Mass746.27
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline
SMILESFc1cccc2c3ccccc3n(-c3ccccc3-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc4-c4ccccc4)cc3)c12
InChIInChI=1S/C54H35FN2O/c55-47-22-12-21-45-44-18-6-10-25-50(44)57(54(45)47)49-24-9-5-17-42(49)37-28-32-39(33-29-37)56(48-23-8-4-16-41(48)36-14-2-1-3-15-36)40-34-30-38(31-35-40)43-20-13-27-52-53(43)46-19-7-11-26-51(46)58-52/h1-35H
InChIKeyPLEXSMOZESHCKB-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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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398224
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 155398414
N-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 155649255
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline
CID 153314946
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
CID 142416181
N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[4-[3-[4-[9-[2-[4-(2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]anilino)phenyl]phenyl]carbazol-2-yl]phenyl]phenyl]phenyl]aniline
CID 155398276
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544595
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649338
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine
CID 155398236
4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine
CID 176609769
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 155398540

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline (CID 169073665) is N-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline is Fc1cccc2c3ccccc3n(-c3ccccc3-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc4-c4ccccc4)cc3)c12.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline?
The InChIKey is PLEXSMOZESHCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35FN2O/c55-47-22-12-21-45-44-18-6-10-25-50(44)57(54(45)47)49-24-9-5-17-42(49)37-28-32-39(33-29-37)56(48-23-8-4-16-41(48)36-14-2-1-3-15-36)40-34-30-38(31-35-40)43-20-13-27-52-53(43)46-19-7-11-26-51(46)58-52/h1-35H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline?
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline 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-1-ylphenyl)-N-[4-[2-(1-fluorocarbazol-9-yl)phenyl]phenyl]-2-phenylaniline is sourced from PubChem (CID 169073665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).