2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile

C28H14N4 — CID 118398062

IUPAC2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cc3ccc4cc(-c5cc(C#N)ccn5)cc5ccc(c2)c3c45)c1
InChIInChI=1S/C28H14N4/c29-15-17-5-7-31-25(9-17)23-11-19-1-2-20-12-24(26-10-18(16-30)6-8-32-26)14-22-4-3-21(13-23)27(19)28(20)22/h1-14H
InChIKeyNRCHZGPLPLVWET-UHFFFAOYSA-N
MW406.45 g/mol
LogP6.45
Rot. Bonds2

About 2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile

2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile (PubChem CID 118398062) has the molecular formula C28H14N4 and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile
PubChem CID118398062
Molecular FormulaC28H14N4
Molecular Weight406.45 g/mol
Exact Mass406.12
IUPAC Name2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cc3ccc4cc(-c5cc(C#N)ccn5)cc5ccc(c2)c3c45)c1
InChIInChI=1S/C28H14N4/c29-15-17-5-7-31-25(9-17)23-11-19-1-2-20-12-24(26-10-18(16-30)6-8-32-26)14-22-4-3-21(13-23)27(19)28(20)22/h1-14H
InChIKeyNRCHZGPLPLVWET-UHFFFAOYSA-N
XLogP6.45
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-pyren-2-ylpyridine-4-carbonitrile
CID 118397173
2-(5-pyren-2-yl-2-pyridinyl)pyridine-4-carbonitrile
CID 118397170
2-pyridin-4-ylpyridine-4-carbonitrile
CID 46315387
2-[4-[6-[4-(4-cyano-2-pyridinyl)phenyl]pyren-1-yl]phenyl]pyridine-4-carbonitrile
CID 126542243
2-quinolin-3-ylpyridine-4-carbonitrile
CID 56718080
2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile
CID 162406878
2-(3-methylphenyl)pyridine-4-carbonitrile
CID 102306874
2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile
CID 117001817
2-[3-[12-[3-(4-cyano-2-pyridinyl)phenyl]chrysen-6-yl]phenyl]pyridine-4-carbonitrile
CID 118398063
2-[4-(1H-pyrazol-5-yl)phenyl]pyridine-4-carbonitrile
CID 56700738
2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile
CID 162413729
2-[5-[3,5-bis[6-(4-cyano-2-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-4-carbonitrile
CID 118397873

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile (CID 118398062) is 2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2cc3ccc4cc(-c5cc(C#N)ccn5)cc5ccc(c2)c3c45)c1.
What is the InChIKey of 2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile?
The InChIKey is NRCHZGPLPLVWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H14N4/c29-15-17-5-7-31-25(9-17)23-11-19-1-2-20-12-24(26-10-18(16-30)6-8-32-26)14-22-4-3-21(13-23)27(19)28(20)22/h1-14H.
What are the key properties of 2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile?
2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile has a molecular weight of 406.45 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 118398062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).