4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine

C27H21N3 — CID 90806125

IUPAC4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
SMILESC=C(c1ccncc1)c1cc(C(=C)c2ccncc2)cc(C(=C)c2ccncc2)c1
InChIInChI=1S/C27H21N3/c1-19(22-4-10-28-11-5-22)25-16-26(20(2)23-6-12-29-13-7-23)18-27(17-25)21(3)24-8-14-30-15-9-24/h4-18H,1-3H2
InChIKeyLSOCVBXJMLQNSV-UHFFFAOYSA-N
MW387.49 g/mol
LogP6.06
Rot. Bonds6

About 4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine

4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine (PubChem CID 90806125) has the molecular formula C27H21N3 and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
PubChem CID90806125
Molecular FormulaC27H21N3
Molecular Weight387.49 g/mol
Exact Mass387.17
IUPAC Name4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
SMILESC=C(c1ccncc1)c1cc(C(=C)c2ccncc2)cc(C(=C)c2ccncc2)c1
InChIInChI=1S/C27H21N3/c1-19(22-4-10-28-11-5-22)25-16-26(20(2)23-6-12-29-13-7-23)18-27(17-25)21(3)24-8-14-30-15-9-24/h4-18H,1-3H2
InChIKeyLSOCVBXJMLQNSV-UHFFFAOYSA-N
XLogP6.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-4-ylprop-2-enoic acid
CID 19966870
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
4-[(3Z)-penta-1,3-dien-2-yl]pyridine
CID 118479579
trimethyl(1-pyridin-4-ylethenoxy)silane
CID 11074269
N-(dipyridin-4-ylmethylideneamino)-1,1-dipyridin-4-ylmethanimine
CID 15883973
N-(1-pyridin-4-ylethenyl)acetamide
CID 131985991
pyridine-4-carbothioyl chloride
CID 18800884
potassium 1-phenylethenylbenzene
CID 19358731
ethane;4-methyl-5-nitro-2-(1-pyridin-4-ylethenyl)aniline
CID 144825259
3-(pyridine-4-carbonyl)benzoic acid
CID 82115219
N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide
CID 172958470
formyl pyridine-4-carboxylate
CID 54232174

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine?
The IUPAC name of 4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine (CID 90806125) is 4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine.
What is the SMILES notation for 4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine?
The canonical SMILES for 4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine is C=C(c1ccncc1)c1cc(C(=C)c2ccncc2)cc(C(=C)c2ccncc2)c1.
What is the InChIKey of 4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine?
The InChIKey is LSOCVBXJMLQNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3/c1-19(22-4-10-28-11-5-22)25-16-26(20(2)23-6-12-29-13-7-23)18-27(17-25)21(3)24-8-14-30-15-9-24/h4-18H,1-3H2.
What are the key properties of 4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine?
4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine has a molecular weight of 387.49 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine is sourced from PubChem (CID 90806125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).