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

C52H33FN2O — CID 169073589

IUPACN-(4-dibenzofuran-4-ylphenyl)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESFc1ccc2c(c1)c1ccccc1n2-c1cccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C52H33FN2O/c53-39-25-30-50-48(32-39)45-13-3-5-17-49(45)55(50)43-12-7-11-42(33-43)54(40-26-21-35(22-27-40)38-20-19-34-9-1-2-10-37(34)31-38)41-28-23-36(24-29-41)44-15-8-16-47-46-14-4-6-18-51(46)56-52(44)47/h1-33H
InChIKeyIUXTWXONAKYHMR-UHFFFAOYSA-N
MW720.85 g/mol
LogP14.78
Rot. Bonds6

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

N-(4-dibenzofuran-4-ylphenyl)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 169073589) has the molecular formula C52H33FN2O and a molecular weight of 720.85 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID169073589
Molecular FormulaC52H33FN2O
Molecular Weight720.85 g/mol
Exact Mass720.26
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESFc1ccc2c(c1)c1ccccc1n2-c1cccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C52H33FN2O/c53-39-25-30-50-48(32-39)45-13-3-5-17-49(45)55(50)43-12-7-11-42(33-43)54(40-26-21-35(22-27-40)38-20-19-34-9-1-2-10-37(34)31-38)41-28-23-36(24-29-41)44-15-8-16-47-46-14-4-6-18-51(46)56-52(44)47/h1-33H
InChIKeyIUXTWXONAKYHMR-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

3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158979073
N-(4-dibenzofuran-4-ylphenyl)-2-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 169073561
N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443649
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159453315
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 158717061
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578269
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-fluorocarbazol-9-yl)phenyl]-4-naphthalen-2-ylaniline
CID 169073776
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-1-ylaniline
CID 146578264
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 139545467
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
3-carbazol-9-yl-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578380

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline (CID 169073589) is N-(4-dibenzofuran-4-ylphenyl)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline is Fc1ccc2c(c1)c1ccccc1n2-c1cccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is IUXTWXONAKYHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33FN2O/c53-39-25-30-50-48(32-39)45-13-3-5-17-49(45)55(50)43-12-7-11-42(33-43)54(40-26-21-35(22-27-40)38-20-19-34-9-1-2-10-37(34)31-38)41-28-23-36(24-29-41)44-15-8-16-47-46-14-4-6-18-51(46)56-52(44)47/h1-33H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-3-(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)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 169073589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).