2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile

C26H18N4 — CID 22359101

IUPAC2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile
SMILESN#CC(c1ccccc1)(c1ccncc1)C(C#N)(c1ccccc1)c1ccncc1
InChIInChI=1S/C26H18N4/c27-19-25(21-7-3-1-4-8-21,23-11-15-29-16-12-23)26(20-28,22-9-5-2-6-10-22)24-13-17-30-18-14-24/h1-18H
InChIKeyKNRXNSKOPUIHIK-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.80
Rot. Bonds5

About 2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile

2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile (PubChem CID 22359101) has the molecular formula C26H18N4 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile.

Molecular Properties

Compound Name2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile
PubChem CID22359101
Molecular FormulaC26H18N4
Molecular Weight386.46 g/mol
Exact Mass386.15
IUPAC Name2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile
SMILESN#CC(c1ccccc1)(c1ccncc1)C(C#N)(c1ccccc1)c1ccncc1
InChIInChI=1S/C26H18N4/c27-19-25(21-7-3-1-4-8-21,23-11-15-29-16-12-23)26(20-28,22-9-5-2-6-10-22)24-13-17-30-18-14-24/h1-18H
InChIKeyKNRXNSKOPUIHIK-UHFFFAOYSA-N
XLogP4.80
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile?
The IUPAC name of 2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile (CID 22359101) is 2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile.
What is the SMILES notation for 2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile?
The canonical SMILES for 2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile is N#CC(c1ccccc1)(c1ccncc1)C(C#N)(c1ccccc1)c1ccncc1.
What is the InChIKey of 2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile?
The InChIKey is KNRXNSKOPUIHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4/c27-19-25(21-7-3-1-4-8-21,23-11-15-29-16-12-23)26(20-28,22-9-5-2-6-10-22)24-13-17-30-18-14-24/h1-18H.
What are the key properties of 2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile?
2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile has a molecular weight of 386.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile is sourced from PubChem (CID 22359101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).