4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile

C55H37N3O — CID 71126867

IUPAC4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile
SMILESN#Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C55H37N3O/c56-38-39-15-27-47(28-16-39)58(51-35-36-53-52-13-7-8-14-54(52)59-55(53)37-51)50-33-25-45(26-34-50)44-23-31-49(32-24-44)57(46-11-5-2-6-12-46)48-29-21-43(22-30-48)42-19-17-41(18-20-42)40-9-3-1-4-10-40/h1-37H
InChIKeyFOTFZCCMTQZQPE-UHFFFAOYSA-N
MW755.92 g/mol
LogP15.40
Rot. Bonds9

About 4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile

4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile (PubChem CID 71126867) has the molecular formula C55H37N3O and a molecular weight of 755.92 g/mol. Its IUPAC name is 4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile.

Molecular Properties

Compound Name4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile
PubChem CID71126867
Molecular FormulaC55H37N3O
Molecular Weight755.92 g/mol
Exact Mass755.29
IUPAC Name4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile
SMILESN#Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C55H37N3O/c56-38-39-15-27-47(28-16-39)58(51-35-36-53-52-13-7-8-14-54(52)59-55(53)37-51)50-33-25-45(26-34-50)44-23-31-49(32-24-44)57(46-11-5-2-6-12-46)48-29-21-43(22-30-48)42-19-17-41(18-20-42)40-9-3-1-4-10-40/h1-37H
InChIKeyFOTFZCCMTQZQPE-UHFFFAOYSA-N
XLogP15.40
TPSA43.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.92
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(N-[4-[7-[4-(N-dibenzofuran-3-ylanilino)phenyl]naphthalen-2-yl]phenyl]-4-phenylanilino)benzonitrile
CID 149392924
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-phenyl-N-(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 138651086

Frequently Asked Questions

What is the IUPAC name of 4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile?
The IUPAC name of 4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile (CID 71126867) is 4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile.
What is the SMILES notation for 4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile?
The canonical SMILES for 4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile is N#Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile?
The InChIKey is FOTFZCCMTQZQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3O/c56-38-39-15-27-47(28-16-39)58(51-35-36-53-52-13-7-8-14-54(52)59-55(53)37-51)50-33-25-45(26-34-50)44-23-31-49(32-24-44)57(46-11-5-2-6-12-46)48-29-21-43(22-30-48)42-19-17-41(18-20-42)40-9-3-1-4-10-40/h1-37H.
What are the key properties of 4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile?
4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile has a molecular weight of 755.92 g/mol, XLogP of 15.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile is sourced from PubChem (CID 71126867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).