2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile

C24H18N2O — CID 12957265

IUPAC2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
SMILESN#CC1=C(N)OC(c2ccccc2)=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H18N2O/c25-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(27-24(20)26)19-14-8-3-9-15-19/h1-15,21H,26H2
InChIKeyJGLFCLXNUSNNSM-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.06
Rot. Bonds3

About 2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile

2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile (PubChem CID 12957265) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
PubChem CID12957265
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
SMILESN#CC1=C(N)OC(c2ccccc2)=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H18N2O/c25-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(27-24(20)26)19-14-8-3-9-15-19/h1-15,21H,26H2
InChIKeyJGLFCLXNUSNNSM-UHFFFAOYSA-N
XLogP5.06
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile
CID 2140571
2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile
CID 15546482
2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile
CID 5062571
methyl 2-(6-amino-5-cyano-2,4-diphenyl-4H-pyran-3-yl)-2-oxoacetate
CID 45490378
(4R,7S)-2-amino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 42533868
(4S,7S)-2-amino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 42533869
2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 170836279
2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile
CID 14066090
2-amino-6-ethyl-4-phenyl-4H-pyran-3,5-dicarbonitrile
CID 600102
2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile
CID 5032104
(4R)-2-amino-7,7-dimethyl-5-oxo-4-(4-phenylphenyl)-6,8-dihydro-4H-chromene-3-carbonitrile
CID 2180497
(8S)-6-amino-8-phenyl-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 51973770

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile?
The IUPAC name of 2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile (CID 12957265) is 2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile.
What is the SMILES notation for 2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile?
The canonical SMILES for 2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile is N#CC1=C(N)OC(c2ccccc2)=C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile?
The InChIKey is JGLFCLXNUSNNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c25-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(27-24(20)26)19-14-8-3-9-15-19/h1-15,21H,26H2.
What are the key properties of 2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile?
2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile has a molecular weight of 350.42 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile is sourced from PubChem (CID 12957265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).