2-but-3-enyl-4,6-diphenylpyridine

C21H19N — CID 138981640

IUPAC2-but-3-enyl-4,6-diphenylpyridine
SMILESC=CCCc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C21H19N/c1-2-3-14-20-15-19(17-10-6-4-7-11-17)16-21(22-20)18-12-8-5-9-13-18/h2,4-13,15-16H,1,3,14H2
InChIKeyMTEBVRNGCPAXCC-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.53
Rot. Bonds5

About 2-but-3-enyl-4,6-diphenylpyridine

2-but-3-enyl-4,6-diphenylpyridine (PubChem CID 138981640) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-but-3-enyl-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-but-3-enyl-4,6-diphenylpyridine
PubChem CID138981640
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name2-but-3-enyl-4,6-diphenylpyridine
SMILESC=CCCc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C21H19N/c1-2-3-14-20-15-19(17-10-6-4-7-11-17)16-21(22-20)18-12-8-5-9-13-18/h2,4-13,15-16H,1,3,14H2
InChIKeyMTEBVRNGCPAXCC-UHFFFAOYSA-N
XLogP5.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
4-[4-(4-ethenylphenyl)phenyl]-2,6-bis(4-phenylphenyl)pyridine
CID 58151660
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
2-methyl-4,6-diphenylpyridine
CID 618669
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
2-[(2Z,4Z)-5-methylocta-2,4,7-trienyl]-6-(3-methylphenyl)-4-(4-phenylphenyl)pyridine
CID 130199078

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-4,6-diphenylpyridine?
The IUPAC name of 2-but-3-enyl-4,6-diphenylpyridine (CID 138981640) is 2-but-3-enyl-4,6-diphenylpyridine.
What is the SMILES notation for 2-but-3-enyl-4,6-diphenylpyridine?
The canonical SMILES for 2-but-3-enyl-4,6-diphenylpyridine is C=CCCc1cc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-but-3-enyl-4,6-diphenylpyridine?
The InChIKey is MTEBVRNGCPAXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-2-3-14-20-15-19(17-10-6-4-7-11-17)16-21(22-20)18-12-8-5-9-13-18/h2,4-13,15-16H,1,3,14H2.
What are the key properties of 2-but-3-enyl-4,6-diphenylpyridine?
2-but-3-enyl-4,6-diphenylpyridine has a molecular weight of 285.39 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-4,6-diphenylpyridine is sourced from PubChem (CID 138981640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).