N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline

C54H35IN2O — CID 170244104

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline
SMILESIc1ccc2c3ccccc3n(-c3ccccc3-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c2c1
InChIInChI=1S/C54H35IN2O/c55-40-29-32-47-46-20-5-8-25-51(46)57(52(47)35-40)50-24-7-4-19-44(50)37-27-30-41(31-28-37)56(42-17-10-15-38(33-42)36-13-2-1-3-14-36)43-18-11-16-39(34-43)45-22-12-23-49-48-21-6-9-26-53(48)58-54(45)49/h1-35H
InChIKeyZUFLYHWKFPUUJT-UHFFFAOYSA-N
MW854.79 g/mol
LogP15.76
Rot. Bonds7

About N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline

N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline (PubChem CID 170244104) has the molecular formula C54H35IN2O and a molecular weight of 854.79 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline
PubChem CID170244104
Molecular FormulaC54H35IN2O
Molecular Weight854.79 g/mol
Exact Mass854.18
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline
SMILESIc1ccc2c3ccccc3n(-c3ccccc3-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c2c1
InChIInChI=1S/C54H35IN2O/c55-40-29-32-47-46-20-5-8-25-51(46)57(52(47)35-40)50-24-7-4-19-44(50)37-27-30-41(31-28-37)56(42-17-10-15-38(33-42)36-13-2-1-3-14-36)43-18-11-16-39(34-43)45-22-12-23-49-48-21-6-9-26-53(48)58-54(45)49/h1-35H
InChIKeyZUFLYHWKFPUUJT-UHFFFAOYSA-N
XLogP15.76
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.79
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline
CID 139544656
3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544966
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 139544637
3-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544982
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 164724975
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-4-yl-N-phenylaniline
CID 139544485
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139545181
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-9-[2-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164971651
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545258
3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-(3-phenylphenyl)aniline;N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-3-(3-phenylphenyl)aniline
CID 157078470
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-3-phenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine
CID 159100298
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline
CID 153314590

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline (CID 170244104) is N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline is Ic1ccc2c3ccccc3n(-c3ccccc3-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c2c1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline?
The InChIKey is ZUFLYHWKFPUUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35IN2O/c55-40-29-32-47-46-20-5-8-25-51(46)57(52(47)35-40)50-24-7-4-19-44(50)37-27-30-41(31-28-37)56(42-17-10-15-38(33-42)36-13-2-1-3-14-36)43-18-11-16-39(34-43)45-22-12-23-49-48-21-6-9-26-53(48)58-54(45)49/h1-35H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline?
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline has a molecular weight of 854.79 g/mol, XLogP of 15.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline is sourced from PubChem (CID 170244104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).