4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile

C23H14ClNO — CID 53349735

IUPAC4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3)oc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H14ClNO/c24-20-8-4-7-19(13-20)23-21(17-11-9-16(15-25)10-12-17)14-22(26-23)18-5-2-1-3-6-18/h1-14H
InChIKeyMMVFNNLMOSZNIT-UHFFFAOYSA-N
MW355.82 g/mol
LogP6.81
Rot. Bonds3

About 4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile

4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile (PubChem CID 53349735) has the molecular formula C23H14ClNO and a molecular weight of 355.82 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile
PubChem CID53349735
Molecular FormulaC23H14ClNO
Molecular Weight355.82 g/mol
Exact Mass355.08
IUPAC Name4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3)oc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H14ClNO/c24-20-8-4-7-19(13-20)23-21(17-11-9-16(15-25)10-12-17)14-22(26-23)18-5-2-1-3-6-18/h1-14H
InChIKeyMMVFNNLMOSZNIT-UHFFFAOYSA-N
XLogP6.81
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.82
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(4-nitrophenyl)-2-phenylfuran-3-yl]benzonitrile
CID 53349945
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1-chloro-3-(2-phenylphenyl)benzene
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4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
5-(4-methoxyphenyl)-2,3-diphenylfuran
CID 2733040
4-[5-[(3-chlorophenyl)iminomethyl]furan-2-yl]benzonitrile
CID 126030047
5-(3-fluorophenyl)-2,3-diphenylfuran
CID 177412332
2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile
CID 102526250
azulene-6-carbonitrile
CID 91533837
4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile
CID 176994414
4-[2,3-bis(4-cyanophenyl)phenyl]benzonitrile
CID 66870651
5-(2-phenylphenyl)benzene-1,3-dicarbonitrile
CID 126496791

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile?
The IUPAC name of 4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile (CID 53349735) is 4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile?
The canonical SMILES for 4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile is N#Cc1ccc(-c2cc(-c3ccccc3)oc2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile?
The InChIKey is MMVFNNLMOSZNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClNO/c24-20-8-4-7-19(13-20)23-21(17-11-9-16(15-25)10-12-17)14-22(26-23)18-5-2-1-3-6-18/h1-14H.
What are the key properties of 4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile?
4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile has a molecular weight of 355.82 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile is sourced from PubChem (CID 53349735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).