4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine

C46H32N4 — CID 123619493

IUPAC4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine
SMILESc1ccc(-c2ccncc2)c(C(=C(c2ccccc2-c2ccncc2)c2ccccc2-c2ccncc2)c2ccccc2-c2ccncc2)c1
InChIInChI=1S/C46H32N4/c1-5-13-41(37(9-1)33-17-25-47-26-18-33)45(42-14-6-2-10-38(42)34-19-27-48-28-20-34)46(43-15-7-3-11-39(43)35-21-29-49-30-22-35)44-16-8-4-12-40(44)36-23-31-50-32-24-36/h1-32H
InChIKeyAVDQVPZHKCPBTK-UHFFFAOYSA-N
MW640.79 g/mol
LogP10.94
Rot. Bonds8

About 4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine

4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine (PubChem CID 123619493) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine
PubChem CID123619493
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine
SMILESc1ccc(-c2ccncc2)c(C(=C(c2ccccc2-c2ccncc2)c2ccccc2-c2ccncc2)c2ccccc2-c2ccncc2)c1
InChIInChI=1S/C46H32N4/c1-5-13-41(37(9-1)33-17-25-47-26-18-33)45(42-14-6-2-10-38(42)34-19-27-48-28-20-34)46(43-15-7-3-11-39(43)35-21-29-49-30-22-35)44-16-8-4-12-40(44)36-23-31-50-32-24-36/h1-32H
InChIKeyAVDQVPZHKCPBTK-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine?
The IUPAC name of 4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine (CID 123619493) is 4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine.
What is the SMILES notation for 4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine?
The canonical SMILES for 4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine is c1ccc(-c2ccncc2)c(C(=C(c2ccccc2-c2ccncc2)c2ccccc2-c2ccncc2)c2ccccc2-c2ccncc2)c1.
What is the InChIKey of 4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine?
The InChIKey is AVDQVPZHKCPBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-5-13-41(37(9-1)33-17-25-47-26-18-33)45(42-14-6-2-10-38(42)34-19-27-48-28-20-34)46(43-15-7-3-11-39(43)35-21-29-49-30-22-35)44-16-8-4-12-40(44)36-23-31-50-32-24-36/h1-32H.
What are the key properties of 4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine?
4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]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 4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine is sourced from PubChem (CID 123619493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).