2,3-dimethyl-2,3-diphenylbutanedinitrile

C18H16N2 — CID 582643

IUPAC2,3-dimethyl-2,3-diphenylbutanedinitrile
SMILESCC(C#N)(c1ccccc1)C(C)(C#N)c1ccccc1
InChIInChI=1S/C18H16N2/c1-17(13-19,15-9-5-3-6-10-15)18(2,14-20)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKeyCSTGLJBADQREHJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.95
Rot. Bonds3

About 2,3-dimethyl-2,3-diphenylbutanedinitrile

2,3-dimethyl-2,3-diphenylbutanedinitrile (PubChem CID 582643) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,3-dimethyl-2,3-diphenylbutanedinitrile.

Molecular Properties

Compound Name2,3-dimethyl-2,3-diphenylbutanedinitrile
PubChem CID582643
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name2,3-dimethyl-2,3-diphenylbutanedinitrile
SMILESCC(C#N)(c1ccccc1)C(C)(C#N)c1ccccc1
InChIInChI=1S/C18H16N2/c1-17(13-19,15-9-5-3-6-10-15)18(2,14-20)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKeyCSTGLJBADQREHJ-UHFFFAOYSA-N
XLogP3.95
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2,3-diphenylbutanedinitrile?
The IUPAC name of 2,3-dimethyl-2,3-diphenylbutanedinitrile (CID 582643) is 2,3-dimethyl-2,3-diphenylbutanedinitrile.
What is the SMILES notation for 2,3-dimethyl-2,3-diphenylbutanedinitrile?
The canonical SMILES for 2,3-dimethyl-2,3-diphenylbutanedinitrile is CC(C#N)(c1ccccc1)C(C)(C#N)c1ccccc1.
What is the InChIKey of 2,3-dimethyl-2,3-diphenylbutanedinitrile?
The InChIKey is CSTGLJBADQREHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-17(13-19,15-9-5-3-6-10-15)18(2,14-20)16-11-7-4-8-12-16/h3-12H,1-2H3.
What are the key properties of 2,3-dimethyl-2,3-diphenylbutanedinitrile?
2,3-dimethyl-2,3-diphenylbutanedinitrile has a molecular weight of 260.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,3-diphenylbutanedinitrile is sourced from PubChem (CID 582643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).