4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile

C38H21N3O2 — CID 169061658

IUPAC4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3oc4ccccc4c3c2)cc1C#N
InChIInChI=1S/C38H21N3O2/c39-22-25-14-17-28(20-26(25)23-40)41(29-18-19-37-34(21-29)32-7-2-3-10-35(32)42-37)27-15-12-24(13-16-27)30-8-5-9-33-31-6-1-4-11-36(31)43-38(30)33/h1-21H
InChIKeyZBICTWORZSADAQ-UHFFFAOYSA-N
MW551.61 g/mol
LogP10.37
Rot. Bonds4

About 4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile

4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile (PubChem CID 169061658) has the molecular formula C38H21N3O2 and a molecular weight of 551.61 g/mol. Its IUPAC name is 4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile
PubChem CID169061658
Molecular FormulaC38H21N3O2
Molecular Weight551.61 g/mol
Exact Mass551.16
IUPAC Name4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3oc4ccccc4c3c2)cc1C#N
InChIInChI=1S/C38H21N3O2/c39-22-25-14-17-28(20-26(25)23-40)41(29-18-19-37-34(21-29)32-7-2-3-10-35(32)42-37)27-15-12-24(13-16-27)30-8-5-9-33-31-6-1-4-11-36(31)43-38(30)33/h1-21H
InChIKeyZBICTWORZSADAQ-UHFFFAOYSA-N
XLogP10.37
TPSA77.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.61
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605105
4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]benzene-1,2-dicarbonitrile
CID 169061488
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168809728
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)triphenylen-2-amine
CID 118214662
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile
CID 169061620
N,N-bis(4-dibenzofuran-2-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-4-amine
CID 159092956
3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134198198
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
N,18-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050042
N,18-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050522

Frequently Asked Questions

What is the IUPAC name of 4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile?
The IUPAC name of 4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile (CID 169061658) is 4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile is N#Cc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3oc4ccccc4c3c2)cc1C#N.
What is the InChIKey of 4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile?
The InChIKey is ZBICTWORZSADAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3O2/c39-22-25-14-17-28(20-26(25)23-40)41(29-18-19-37-34(21-29)32-7-2-3-10-35(32)42-37)27-15-12-24(13-16-27)30-8-5-9-33-31-6-1-4-11-36(31)43-38(30)33/h1-21H.
What are the key properties of 4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile?
4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile has a molecular weight of 551.61 g/mol, XLogP of 10.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-dibenzofuran-2-yl-4-dibenzofuran-4-ylanilino)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 169061658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).