N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline

C54H34F2N2O — CID 169073509

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
SMILESFc1cccc2c1c1c(F)cccc1n2-c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)c1
InChIInChI=1S/C54H34F2N2O/c55-47-17-8-19-49-52(47)53-48(56)18-9-20-50(53)58(49)43-13-6-12-39(34-43)37-24-30-41(31-25-37)57(40-28-22-36(23-29-40)35-10-2-1-3-11-35)42-32-26-38(27-33-42)44-15-7-16-46-45-14-4-5-21-51(45)59-54(44)46/h1-34H
InChIKeyVTLLEHZJMDDBNF-UHFFFAOYSA-N
MW764.88 g/mol
LogP15.43
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline (PubChem CID 169073509) has the molecular formula C54H34F2N2O and a molecular weight of 764.88 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
PubChem CID169073509
Molecular FormulaC54H34F2N2O
Molecular Weight764.88 g/mol
Exact Mass764.26
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
SMILESFc1cccc2c1c1c(F)cccc1n2-c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)c1
InChIInChI=1S/C54H34F2N2O/c55-47-17-8-19-49-52(47)53-48(56)18-9-20-50(53)58(49)43-13-6-12-39(34-43)37-24-30-41(31-25-37)57(40-28-22-36(23-29-40)35-10-2-1-3-11-35)42-32-26-38(27-33-42)44-15-7-16-46-45-14-4-5-21-51(45)59-54(44)46/h1-34H
InChIKeyVTLLEHZJMDDBNF-UHFFFAOYSA-N
XLogP15.43
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.88
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315205
4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804273
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 161206452
N-[4-[3-(4-fluorocarbazol-9-yl)phenyl]phenyl]-6-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 169073685
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-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline
CID 118901537
N-[4-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160835458
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 118402476
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

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline (CID 169073509) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline is Fc1cccc2c1c1c(F)cccc1n2-c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline?
The InChIKey is VTLLEHZJMDDBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34F2N2O/c55-47-17-8-19-49-52(47)53-48(56)18-9-20-50(53)58(49)43-13-6-12-39(34-43)37-24-30-41(31-25-37)57(40-28-22-36(23-29-40)35-10-2-1-3-11-35)42-32-26-38(27-33-42)44-15-7-16-46-45-14-4-5-21-51(45)59-54(44)46/h1-34H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline has a molecular weight of 764.88 g/mol, XLogP of 15.43, 7 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)-N-[4-[3-(4,5-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 169073509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).