4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile

C31H18ClNO — CID 176994569

IUPAC4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile
SMILESN#Cc1c(-c2ccc(-c3ccccc3)cc2)cc(Cl)cc1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C31H18ClNO/c32-24-17-27(22-12-10-21(11-13-22)20-6-2-1-3-7-20)29(19-33)28(18-24)23-14-15-26-25-8-4-5-9-30(25)34-31(26)16-23/h1-18H
InChIKeyFHOUZJLOLBMFCU-UHFFFAOYSA-N
MW455.94 g/mol
LogP9.11
Rot. Bonds3

About 4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile

4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile (PubChem CID 176994569) has the molecular formula C31H18ClNO and a molecular weight of 455.94 g/mol. Its IUPAC name is 4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile
PubChem CID176994569
Molecular FormulaC31H18ClNO
Molecular Weight455.94 g/mol
Exact Mass455.11
IUPAC Name4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile
SMILESN#Cc1c(-c2ccc(-c3ccccc3)cc2)cc(Cl)cc1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C31H18ClNO/c32-24-17-27(22-12-10-21(11-13-22)20-6-2-1-3-7-20)29(19-33)28(18-24)23-14-15-26-25-8-4-5-9-30(25)34-31(26)16-23/h1-18H
InChIKeyFHOUZJLOLBMFCU-UHFFFAOYSA-N
XLogP9.11
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.94
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile
CID 146355593
4,5-di(dibenzofuran-3-yl)-2-phenylbenzonitrile
CID 146355357
3-(2-chloro-6-phenylphenyl)dibenzofuran
CID 170666298
4-dibenzofuran-3-yl-6-dibenzothiophen-2-yl-2-phenylbenzene-1,3-dicarbonitrile
CID 146354952
4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146353814
4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile
CID 176994433
4-[9-(4-cyanophenyl)dibenzofuran-3-yl]-2-phenyl-6-(4-phenylphenyl)benzonitrile
CID 176994591
2-(3-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile
CID 161473493
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile
CID 146353866
7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353959
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile?
The IUPAC name of 4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile (CID 176994569) is 4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile.
What is the SMILES notation for 4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile?
The canonical SMILES for 4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile is N#Cc1c(-c2ccc(-c3ccccc3)cc2)cc(Cl)cc1-c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile?
The InChIKey is FHOUZJLOLBMFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18ClNO/c32-24-17-27(22-12-10-21(11-13-22)20-6-2-1-3-7-20)29(19-33)28(18-24)23-14-15-26-25-8-4-5-9-30(25)34-31(26)16-23/h1-18H.
What are the key properties of 4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile?
4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile has a molecular weight of 455.94 g/mol, XLogP of 9.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile is sourced from PubChem (CID 176994569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).