2-phenyl-3,6-dipyridin-4-ylbenzonitrile

C23H15N3 — CID 58954286

IUPAC2-phenyl-3,6-dipyridin-4-ylbenzonitrile
SMILESN#Cc1c(-c2ccncc2)ccc(-c2ccncc2)c1-c1ccccc1
InChIInChI=1S/C23H15N3/c24-16-22-20(17-8-12-25-13-9-17)6-7-21(18-10-14-26-15-11-18)23(22)19-4-2-1-3-5-19/h1-15H
InChIKeySWKKELCCOIDOPE-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.35
Rot. Bonds3

About 2-phenyl-3,6-dipyridin-4-ylbenzonitrile

2-phenyl-3,6-dipyridin-4-ylbenzonitrile (PubChem CID 58954286) has the molecular formula C23H15N3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-phenyl-3,6-dipyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name2-phenyl-3,6-dipyridin-4-ylbenzonitrile
PubChem CID58954286
Molecular FormulaC23H15N3
Molecular Weight333.39 g/mol
Exact Mass333.13
IUPAC Name2-phenyl-3,6-dipyridin-4-ylbenzonitrile
SMILESN#Cc1c(-c2ccncc2)ccc(-c2ccncc2)c1-c1ccccc1
InChIInChI=1S/C23H15N3/c24-16-22-20(17-8-12-25-13-9-17)6-7-21(18-10-14-26-15-11-18)23(22)19-4-2-1-3-5-19/h1-15H
InChIKeySWKKELCCOIDOPE-UHFFFAOYSA-N
XLogP5.35
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840
6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile
CID 158035055
2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 134820680
3-iodo-6-phenylbenzene-1,2-dicarbonitrile
CID 141320941
3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2-[4-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]naphthalene-1-carbonitrile
CID 158294530
2,3-diamino-6-phenylbenzonitrile
CID 59218657
N,N-diphenyl-2,3,4-tripyridin-4-ylaniline
CID 175865200
azane;4-phenylpyridine
CID 175775455
1,2,3,4-tetraphenylbenzene;triazine
CID 175536377
4-[4-[2,4-diphenyl-5-(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 67990612
2-(hydroxymethyl)-4-phenylpyridine-3-carbonitrile
CID 70704184
2,6-difluoro-3-pyridin-3-ylbenzonitrile
CID 58731401

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,6-dipyridin-4-ylbenzonitrile?
The IUPAC name of 2-phenyl-3,6-dipyridin-4-ylbenzonitrile (CID 58954286) is 2-phenyl-3,6-dipyridin-4-ylbenzonitrile.
What is the SMILES notation for 2-phenyl-3,6-dipyridin-4-ylbenzonitrile?
The canonical SMILES for 2-phenyl-3,6-dipyridin-4-ylbenzonitrile is N#Cc1c(-c2ccncc2)ccc(-c2ccncc2)c1-c1ccccc1.
What is the InChIKey of 2-phenyl-3,6-dipyridin-4-ylbenzonitrile?
The InChIKey is SWKKELCCOIDOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3/c24-16-22-20(17-8-12-25-13-9-17)6-7-21(18-10-14-26-15-11-18)23(22)19-4-2-1-3-5-19/h1-15H.
What are the key properties of 2-phenyl-3,6-dipyridin-4-ylbenzonitrile?
2-phenyl-3,6-dipyridin-4-ylbenzonitrile has a molecular weight of 333.39 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,6-dipyridin-4-ylbenzonitrile is sourced from PubChem (CID 58954286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).