(5R)-5,7-diphenylhept-6-ynenitrile

C19H17N — CID 138911214

IUPAC(5R)-5,7-diphenylhept-6-ynenitrile
SMILESN#CCCC[C@@H](C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N/c20-16-8-7-13-19(18-11-5-2-6-12-18)15-14-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13H2/t19-/m0/s1
InChIKeyVVHAJNSSUAUERX-IBGZPJMESA-N
MW259.35 g/mol
LogP4.52
Rot. Bonds4

About (5R)-5,7-diphenylhept-6-ynenitrile

(5R)-5,7-diphenylhept-6-ynenitrile (PubChem CID 138911214) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is (5R)-5,7-diphenylhept-6-ynenitrile.

Molecular Properties

Compound Name(5R)-5,7-diphenylhept-6-ynenitrile
PubChem CID138911214
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name(5R)-5,7-diphenylhept-6-ynenitrile
SMILESN#CCCC[C@@H](C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N/c20-16-8-7-13-19(18-11-5-2-6-12-18)15-14-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13H2/t19-/m0/s1
InChIKeyVVHAJNSSUAUERX-IBGZPJMESA-N
XLogP4.52
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene
CID 138911269
1-phenyl-4-[(3S)-7,7,7-trifluoro-1-phenylhept-1-yn-3-yl]benzene
CID 154720792
1,4,6-triphenylhex-5-yn-1-one
CID 166443450
1-phenylhex-5-en-1-yn-3-ylbenzene
CID 11183874
4-(2-phenylethynoxy)butanenitrile
CID 142720134
(4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one
CID 134949108
N-methyl-3,5-diphenylpent-4-ynamide
CID 135041577
4-iodo-4-phenylbutanenitrile
CID 57240454
4-cyano-4-phenylbutane-1-sulfonate
CID 131716210
3-ethyl-5-phenylpent-4-ynenitrile
CID 15355077
3-[[(1R,2S)-2-(2-cyanoethylamino)-1,2-diphenylethyl]amino]propanenitrile
CID 58650644
(E)-4,5-bis(2-phenylethynyl)oct-4-enedinitrile
CID 134977334

Frequently Asked Questions

What is the IUPAC name of (5R)-5,7-diphenylhept-6-ynenitrile?
The IUPAC name of (5R)-5,7-diphenylhept-6-ynenitrile (CID 138911214) is (5R)-5,7-diphenylhept-6-ynenitrile.
What is the SMILES notation for (5R)-5,7-diphenylhept-6-ynenitrile?
The canonical SMILES for (5R)-5,7-diphenylhept-6-ynenitrile is N#CCCC[C@@H](C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of (5R)-5,7-diphenylhept-6-ynenitrile?
The InChIKey is VVHAJNSSUAUERX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17N/c20-16-8-7-13-19(18-11-5-2-6-12-18)15-14-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13H2/t19-/m0/s1.
What are the key properties of (5R)-5,7-diphenylhept-6-ynenitrile?
(5R)-5,7-diphenylhept-6-ynenitrile has a molecular weight of 259.35 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5,7-diphenylhept-6-ynenitrile is sourced from PubChem (CID 138911214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).