N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline

C52H33FN2O — CID 169073561

IUPACN-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESFc1ccc2c(c1)c1ccccc1n2-c1ccccc1N(c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C52H33FN2O/c53-39-26-31-48-46(33-39)43-12-3-5-16-47(43)55(48)50-18-7-6-17-49(50)54(40-27-22-35(23-28-40)38-21-20-34-10-1-2-11-37(34)32-38)41-29-24-36(25-30-41)42-14-9-15-45-44-13-4-8-19-51(44)56-52(42)45/h1-33H
InChIKeyUNYLJQNAQXHBTQ-UHFFFAOYSA-N
MW720.85 g/mol
LogP14.78
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline

N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 169073561) has the molecular formula C52H33FN2O and a molecular weight of 720.85 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID169073561
Molecular FormulaC52H33FN2O
Molecular Weight720.85 g/mol
Exact Mass720.26
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESFc1ccc2c(c1)c1ccccc1n2-c1ccccc1N(c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C52H33FN2O/c53-39-26-31-48-46(33-39)43-12-3-5-16-47(43)55(48)50-18-7-6-17-49(50)54(40-27-22-35(23-28-40)38-21-20-34-10-1-2-11-37(34)32-38)41-29-24-36(25-30-41)42-14-9-15-45-44-13-4-8-19-51(44)56-52(42)45/h1-33H
InChIKeyUNYLJQNAQXHBTQ-UHFFFAOYSA-N
XLogP14.78
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.85
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 169073589
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline
CID 139544809
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 139545447
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline;N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 165090747
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 167322241
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 139545467
2-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline;2-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;2-(2-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenanthren-9-ylphenyl)aniline
CID 159924494
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 159481936
N-(2-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167324791
N-[3-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 139544547
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139544828
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139545256

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline (CID 169073561) is N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline is Fc1ccc2c(c1)c1ccccc1n2-c1ccccc1N(c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is UNYLJQNAQXHBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33FN2O/c53-39-26-31-48-46(33-39)43-12-3-5-16-47(43)55(48)50-18-7-6-17-49(50)54(40-27-22-35(23-28-40)38-21-20-34-10-1-2-11-37(34)32-38)41-29-24-36(25-30-41)42-14-9-15-45-44-13-4-8-19-51(44)56-52(42)45/h1-33H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 720.85 g/mol, XLogP of 14.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 169073561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).