4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile

C38H26N4 — CID 163734781

IUPAC4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile
SMILESCCc1c(-c2ccccc2)c(-c2ccccn2)c(-c2ccc(C#N)cc2)c(-c2ccc(C#N)cc2)c1-c1ccccn1
InChIInChI=1S/C38H26N4/c1-2-31-34(28-10-4-3-5-11-28)38(33-13-7-9-23-42-33)36(30-20-16-27(25-40)17-21-30)35(29-18-14-26(24-39)15-19-29)37(31)32-12-6-8-22-41-32/h3-23H,2H2,1H3
InChIKeyLCQLWPLGEGZARB-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.12
Rot. Bonds6

About 4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile

4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile (PubChem CID 163734781) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile
PubChem CID163734781
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile
SMILESCCc1c(-c2ccccc2)c(-c2ccccn2)c(-c2ccc(C#N)cc2)c(-c2ccc(C#N)cc2)c1-c1ccccn1
InChIInChI=1S/C38H26N4/c1-2-31-34(28-10-4-3-5-11-28)38(33-13-7-9-23-42-33)36(30-20-16-27(25-40)17-21-30)35(29-18-14-26(24-39)15-19-29)37(31)32-12-6-8-22-41-32/h3-23H,2H2,1H3
InChIKeyLCQLWPLGEGZARB-UHFFFAOYSA-N
XLogP9.12
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-cyanophenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 3402109
1,2-diethyl-3,4,5,6-tetraphenylbenzene
CID 58012801
4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline
CID 132567607
ethanol;4-[2,3,4,5,6-pentakis(4-cyanophenyl)phenyl]benzonitrile
CID 139144298
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
2-(2-methyl-3,4,5,6-tetraphenylphenyl)pyridine
CID 23597792
9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene
CID 58731952
4-[3-[4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]quinoxalin-2-yl]benzonitrile
CID 153354917
3-phenyl-5-(3-pyridin-2-ylphenyl)benzonitrile
CID 90393137
2-[3-[4-[3-(4-cyano-2-pyridinyl)phenyl]-2,3-diphenylnaphthalen-1-yl]phenyl]pyridine-4-carbonitrile
CID 118397675
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103655221
2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile
CID 156678731

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile?
The IUPAC name of 4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile (CID 163734781) is 4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile.
What is the SMILES notation for 4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile?
The canonical SMILES for 4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile is CCc1c(-c2ccccc2)c(-c2ccccn2)c(-c2ccc(C#N)cc2)c(-c2ccc(C#N)cc2)c1-c1ccccn1.
What is the InChIKey of 4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile?
The InChIKey is LCQLWPLGEGZARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-2-31-34(28-10-4-3-5-11-28)38(33-13-7-9-23-42-33)36(30-20-16-27(25-40)17-21-30)35(29-18-14-26(24-39)15-19-29)37(31)32-12-6-8-22-41-32/h3-23H,2H2,1H3.
What are the key properties of 4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile?
4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile has a molecular weight of 538.65 g/mol, XLogP of 9.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyanophenyl)-5-ethyl-4-phenyl-3,6-dipyridin-2-ylphenyl]benzonitrile is sourced from PubChem (CID 163734781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).