4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile

C49H30N2O2 — CID 169061620

IUPAC4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C49H30N2O2/c50-31-32-15-17-33(18-16-32)34-19-25-37(26-20-34)51(38-27-21-35(22-28-38)40-9-5-11-44-42-7-1-3-13-46(42)52-48(40)44)39-29-23-36(24-30-39)41-10-6-12-45-43-8-2-4-14-47(43)53-49(41)45/h1-30H
InChIKeyWSJPHZHNEOIRKI-UHFFFAOYSA-N
MW678.79 g/mol
LogP13.83
Rot. Bonds6

About 4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile

4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile (PubChem CID 169061620) has the molecular formula C49H30N2O2 and a molecular weight of 678.79 g/mol. Its IUPAC name is 4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile
PubChem CID169061620
Molecular FormulaC49H30N2O2
Molecular Weight678.79 g/mol
Exact Mass678.23
IUPAC Name4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C49H30N2O2/c50-31-32-15-17-33(18-16-32)34-19-25-37(26-20-34)51(38-27-21-35(22-28-38)40-9-5-11-44-42-7-1-3-13-46(42)52-48(40)44)39-29-23-36(24-30-39)41-10-6-12-45-43-8-2-4-14-47(43)53-49(41)45/h1-30H
InChIKeyWSJPHZHNEOIRKI-UHFFFAOYSA-N
XLogP13.83
TPSA53.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.79
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile
CID 67964745
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline
CID 58568876
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile
CID 169061658
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile
CID 90393086

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile?
The IUPAC name of 4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile (CID 169061620) is 4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile?
The InChIKey is WSJPHZHNEOIRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O2/c50-31-32-15-17-33(18-16-32)34-19-25-37(26-20-34)51(38-27-21-35(22-28-38)40-9-5-11-44-42-7-1-3-13-46(42)52-48(40)44)39-29-23-36(24-30-39)41-10-6-12-45-43-8-2-4-14-47(43)53-49(41)45/h1-30H.
What are the key properties of 4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile?
4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile has a molecular weight of 678.79 g/mol, XLogP of 13.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile is sourced from PubChem (CID 169061620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).