2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine

C46H32N4 — CID 171780226

IUPAC2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine
SMILESc1ccc(C(=C(c2ccccc2)c2cc(-c3ccccn3)c(-c3ccccn3)c(-c3ccccn3)c2-c2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C46H32N4/c1-4-18-33(19-5-1)42(34-20-6-2-7-21-34)43(35-22-8-3-9-23-35)37-32-36(38-24-10-14-28-47-38)44(39-25-11-15-29-48-39)46(41-27-13-17-31-50-41)45(37)40-26-12-16-30-49-40/h1-32H
InChIKeySAJSYRGPRPGKCB-UHFFFAOYSA-N
MW640.79 g/mol
LogP10.94
Rot. Bonds8

About 2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine

2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine (PubChem CID 171780226) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine
PubChem CID171780226
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine
SMILESc1ccc(C(=C(c2ccccc2)c2cc(-c3ccccn3)c(-c3ccccn3)c(-c3ccccn3)c2-c2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C46H32N4/c1-4-18-33(19-5-1)42(34-20-6-2-7-21-34)43(35-22-8-3-9-23-35)37-32-36(38-24-10-14-28-47-38)44(39-25-11-15-29-48-39)46(41-27-13-17-31-50-41)45(37)40-26-12-16-30-49-40/h1-32H
InChIKeySAJSYRGPRPGKCB-UHFFFAOYSA-N
XLogP10.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine
CID 23597794
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
2-[2,3-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-6-[4-[2-[4-[3-[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-4-[4-[2,5-dipyridin-2-yl-4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-3-[4-(2,3,4,5-tetraphenyl-6-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-4-(4-methylphenyl)-3,6-dipyridin-2-ylphenyl]phenyl]-4-pyridin-2-ylphenyl]pyridine
CID 58114875
perchloric acid;2-pyridin-2-ylpyridine
CID 71352928
tetrakis(pyridine);1,2,2-triphenylethenylbenzene
CID 175604996
2-pyridin-2-ylpyridine tetrafluoroborate
CID 87562817

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine?
The IUPAC name of 2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine (CID 171780226) is 2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine.
What is the SMILES notation for 2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine?
The canonical SMILES for 2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine is c1ccc(C(=C(c2ccccc2)c2cc(-c3ccccn3)c(-c3ccccn3)c(-c3ccccn3)c2-c2ccccn2)c2ccccc2)cc1.
What is the InChIKey of 2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine?
The InChIKey is SAJSYRGPRPGKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-4-18-33(19-5-1)42(34-20-6-2-7-21-34)43(35-22-8-3-9-23-35)37-32-36(38-24-10-14-28-47-38)44(39-25-11-15-29-48-39)46(41-27-13-17-31-50-41)45(37)40-26-12-16-30-49-40/h1-32H.
What are the key properties of 2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine?
2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine has a molecular weight of 640.79 g/mol, XLogP of 10.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine is sourced from PubChem (CID 171780226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).