4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile

C50H29N3O2 — CID 169061488

IUPAC4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1C#N
InChIInChI=1S/C50H29N3O2/c51-30-38-10-9-35(27-39(38)31-52)32-11-19-40(20-12-32)53(41-21-13-33(14-22-41)36-17-25-49-45(28-36)43-5-1-3-7-47(43)54-49)42-23-15-34(16-24-42)37-18-26-50-46(29-37)44-6-2-4-8-48(44)55-50/h1-29H
InChIKeyWPNLUPNMAASWSM-UHFFFAOYSA-N
MW703.80 g/mol
LogP13.70
Rot. Bonds6

About 4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile

4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile (PubChem CID 169061488) has the molecular formula C50H29N3O2 and a molecular weight of 703.80 g/mol. Its IUPAC name is 4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile
PubChem CID169061488
Molecular FormulaC50H29N3O2
Molecular Weight703.80 g/mol
Exact Mass703.23
IUPAC Name4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1C#N
InChIInChI=1S/C50H29N3O2/c51-30-38-10-9-35(27-39(38)31-52)32-11-19-40(20-12-32)53(41-21-13-33(14-22-41)36-17-25-49-45(28-36)43-5-1-3-7-47(43)54-49)42-23-15-34(16-24-42)37-18-26-50-46(29-37)44-6-2-4-8-48(44)55-50/h1-29H
InChIKeyWPNLUPNMAASWSM-UHFFFAOYSA-N
XLogP13.70
TPSA77.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.80
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile 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,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile
CID 169061658
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022088
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 118428337
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile (CID 169061488) is 4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile is N#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1C#N.
What is the InChIKey of 4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile?
The InChIKey is WPNLUPNMAASWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N3O2/c51-30-38-10-9-35(27-39(38)31-52)32-11-19-40(20-12-32)53(41-21-13-33(14-22-41)36-17-25-49-45(28-36)43-5-1-3-7-47(43)54-49)42-23-15-34(16-24-42)37-18-26-50-46(29-37)44-6-2-4-8-48(44)55-50/h1-29H.
What are the key properties of 4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile?
4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile has a molecular weight of 703.80 g/mol, XLogP of 13.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 169061488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).