(2S,3R)-2,3-diphenylbutanedinitrile

C16H12N2 — CID 714999

IUPAC(2S,3R)-2,3-diphenylbutanedinitrile
SMILESN#C[C@H](c1ccccc1)[C@@H](C#N)c1ccccc1
InChIInChI=1S/C16H12N2/c17-11-15(13-7-3-1-4-8-13)16(12-18)14-9-5-2-6-10-14/h1-10,15-16H/t15-,16+
InChIKeyKJPHABUGXMBVHI-IYBDPMFKSA-N
MW232.29 g/mol
LogP3.60
Rot. Bonds3

About (2S,3R)-2,3-diphenylbutanedinitrile

(2S,3R)-2,3-diphenylbutanedinitrile (PubChem CID 714999) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is (2S,3R)-2,3-diphenylbutanedinitrile.

Molecular Properties

Compound Name(2S,3R)-2,3-diphenylbutanedinitrile
PubChem CID714999
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name(2S,3R)-2,3-diphenylbutanedinitrile
SMILESN#C[C@H](c1ccccc1)[C@@H](C#N)c1ccccc1
InChIInChI=1S/C16H12N2/c17-11-15(13-7-3-1-4-8-13)16(12-18)14-9-5-2-6-10-14/h1-10,15-16H/t15-,16+
InChIKeyKJPHABUGXMBVHI-IYBDPMFKSA-N
XLogP3.60
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2,3-diphenylpropanenitrile
CID 14451941
[(1R,2R)-1,2-dicyano-2-phenylethyl] thiocyanate
CID 42107662
3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile
CID 11428266
2-(4-methylphenyl)-3-phenylbutanenitrile
CID 82140186
(2R)-2-phenylbut-3-enenitrile
CID 92980223
(2R)-2-bromo-2-phenylacetonitrile
CID 40572467
2-phenyl-2-phosphanylacetonitrile
CID 174529677
4-cyano-3,4-diphenylbutanoate
CID 20501978
2-(4-chlorophenyl)-3-phenylpentanedinitrile
CID 14202275
2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile
CID 82140216
ethane;2-phenylpropanenitrile
CID 91366777
2,3-diphenylhex-5-enenitrile;ethane;yttrium
CID 160854538

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-diphenylbutanedinitrile?
The IUPAC name of (2S,3R)-2,3-diphenylbutanedinitrile (CID 714999) is (2S,3R)-2,3-diphenylbutanedinitrile.
What is the SMILES notation for (2S,3R)-2,3-diphenylbutanedinitrile?
The canonical SMILES for (2S,3R)-2,3-diphenylbutanedinitrile is N#C[C@H](c1ccccc1)[C@@H](C#N)c1ccccc1.
What is the InChIKey of (2S,3R)-2,3-diphenylbutanedinitrile?
The InChIKey is KJPHABUGXMBVHI-IYBDPMFKSA-N. The full InChI is InChI=1S/C16H12N2/c17-11-15(13-7-3-1-4-8-13)16(12-18)14-9-5-2-6-10-14/h1-10,15-16H/t15-,16+.
What are the key properties of (2S,3R)-2,3-diphenylbutanedinitrile?
(2S,3R)-2,3-diphenylbutanedinitrile has a molecular weight of 232.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-diphenylbutanedinitrile is sourced from PubChem (CID 714999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).