2,2,5-triphenylpent-4-ynenitrile

C23H17N — CID 10402967

IUPAC2,2,5-triphenylpent-4-ynenitrile
SMILESN#CC(CC#Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H17N/c24-19-23(21-14-6-2-7-15-21,22-16-8-3-9-17-22)18-10-13-20-11-4-1-5-12-20/h1-9,11-12,14-17H,18H2
InChIKeySPKYZZWCLFTBCY-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.94
Rot. Bonds3

About 2,2,5-triphenylpent-4-ynenitrile

2,2,5-triphenylpent-4-ynenitrile (PubChem CID 10402967) has the molecular formula C23H17N and a molecular weight of 307.40 g/mol. Its IUPAC name is 2,2,5-triphenylpent-4-ynenitrile.

Molecular Properties

Compound Name2,2,5-triphenylpent-4-ynenitrile
PubChem CID10402967
Molecular FormulaC23H17N
Molecular Weight307.40 g/mol
Exact Mass307.14
IUPAC Name2,2,5-triphenylpent-4-ynenitrile
SMILESN#CC(CC#Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H17N/c24-19-23(21-14-6-2-7-15-21,22-16-8-3-9-17-22)18-10-13-20-11-4-1-5-12-20/h1-9,11-12,14-17H,18H2
InChIKeySPKYZZWCLFTBCY-UHFFFAOYSA-N
XLogP4.94
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenylpent-4-enenitrile
CID 10681154
ethyl 2-cyano-2-methyl-5-phenylpent-4-ynoate
CID 114290148
6,6-dimethyl-2,2-diphenylheptanenitrile
CID 122487139
3-(4-chlorophenyl)-2,2-diphenylpropanenitrile
CID 2442406
2,2-diphenyloctadecanenitrile
CID 154150395
(2-cyano-2,2-diphenylethyl) dihydrogen phosphite
CID 175520669
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
(4-cyano-4,4-diphenylbutyl)-trimethylazanium
CID 134117596
1-phenyl-4-(4,4,4-trifluorobut-1-ynyl)benzene
CID 102334519
(3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane
CID 11807842
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656
4-phenylbut-3-yne-1-thiol
CID 12602832

Frequently Asked Questions

What is the IUPAC name of 2,2,5-triphenylpent-4-ynenitrile?
The IUPAC name of 2,2,5-triphenylpent-4-ynenitrile (CID 10402967) is 2,2,5-triphenylpent-4-ynenitrile.
What is the SMILES notation for 2,2,5-triphenylpent-4-ynenitrile?
The canonical SMILES for 2,2,5-triphenylpent-4-ynenitrile is N#CC(CC#Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,5-triphenylpent-4-ynenitrile?
The InChIKey is SPKYZZWCLFTBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N/c24-19-23(21-14-6-2-7-15-21,22-16-8-3-9-17-22)18-10-13-20-11-4-1-5-12-20/h1-9,11-12,14-17H,18H2.
What are the key properties of 2,2,5-triphenylpent-4-ynenitrile?
2,2,5-triphenylpent-4-ynenitrile has a molecular weight of 307.40 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-triphenylpent-4-ynenitrile is sourced from PubChem (CID 10402967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).