4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine

C24H12N2 — CID 56958698

IUPAC4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine
SMILESC#Cc1ccncc1C#Cc1ccccc1C#Cc1cnccc1C#C
InChIInChI=1S/C24H12N2/c1-3-19-13-15-25-17-23(19)11-9-21-7-5-6-8-22(21)10-12-24-18-26-16-14-20(24)4-2/h1-2,5-8,13-18H
InChIKeyMIKQQBXJUMCVIC-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.24
Rot. Bonds

About 4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine

4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine (PubChem CID 56958698) has the molecular formula C24H12N2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine.

Molecular Properties

Compound Name4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine
PubChem CID56958698
Molecular FormulaC24H12N2
Molecular Weight328.37 g/mol
Exact Mass328.10
IUPAC Name4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine
SMILESC#Cc1ccncc1C#Cc1ccccc1C#Cc1cnccc1C#C
InChIInChI=1S/C24H12N2/c1-3-19-13-15-25-17-23(19)11-9-21-7-5-6-8-22(21)10-12-24-18-26-16-14-20(24)4-2/h1-2,5-8,13-18H
InChIKeyMIKQQBXJUMCVIC-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,4-triethynyl-5-[2-(2-ethynylphenyl)ethynyl]benzene
CID 12023743
1-ethynyl-2-(3-phenylprop-1-ynyl)benzene
CID 132546495
5-(2-ethynylphenyl)isoquinoline
CID 172649261
3-(2-ethynylphenyl)-4-methylpyridine
CID 88961447
2-chloro-5-[2-(2-ethynylphenyl)ethynyl]pyridine
CID 10857502
1-ethynyl-2-(4-phenylbut-1-ynyl)benzene
CID 71600475
(4-ethynyl-3-pyridinyl)methanol
CID 74892542
1-[2-(2-ethynylphenyl)ethynyl]-3,5-dimethylbenzene
CID 11138964
3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine
CID 177485987
1-(4-ethynyl-3-pyridinyl)ethanone
CID 74788219
2-ethynylbenzonitrile
CID 11116074
trimethyl-[2-[3-[2-[4-[2-tri(propan-2-yl)silylethynyl]-3-pyridinyl]ethynyl]-4-pyridinyl]ethynyl]silane
CID 11751469

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine?
The IUPAC name of 4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine (CID 56958698) is 4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine.
What is the SMILES notation for 4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine?
The canonical SMILES for 4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine is C#Cc1ccncc1C#Cc1ccccc1C#Cc1cnccc1C#C.
What is the InChIKey of 4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine?
The InChIKey is MIKQQBXJUMCVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12N2/c1-3-19-13-15-25-17-23(19)11-9-21-7-5-6-8-22(21)10-12-24-18-26-16-14-20(24)4-2/h1-2,5-8,13-18H.
What are the key properties of 4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine?
4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine has a molecular weight of 328.37 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine is sourced from PubChem (CID 56958698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).