4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine

C34H26N4 — CID 86183195

IUPAC4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
SMILESC(=Cc1cc(C=Cc2ccncc2)c(C=Cc2ccncc2)cc1C=Cc1ccncc1)c1ccncc1
InChIInChI=1S/C34H26N4/c1(27-9-17-35-18-10-27)5-31-25-33(7-3-29-13-21-37-22-14-29)34(8-4-30-15-23-38-24-16-30)26-32(31)6-2-28-11-19-36-20-12-28/h1-26H
InChIKeyINTRAMKSROTWLF-UHFFFAOYSA-N
MW490.61 g/mol
LogP7.95
Rot. Bonds8

About 4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine

4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine (PubChem CID 86183195) has the molecular formula C34H26N4 and a molecular weight of 490.61 g/mol. Its IUPAC name is 4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
PubChem CID86183195
Molecular FormulaC34H26N4
Molecular Weight490.61 g/mol
Exact Mass490.22
IUPAC Name4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
SMILESC(=Cc1cc(C=Cc2ccncc2)c(C=Cc2ccncc2)cc1C=Cc1ccncc1)c1ccncc1
InChIInChI=1S/C34H26N4/c1(27-9-17-35-18-10-27)5-31-25-33(7-3-29-13-21-37-22-14-29)34(8-4-30-15-23-38-24-16-30)26-32(31)6-2-28-11-19-36-20-12-28/h1-26H
InChIKeyINTRAMKSROTWLF-UHFFFAOYSA-N
XLogP7.95
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyridin-4-ylethenyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]-2-pyridinyl]pyridine
CID 154284100
4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde
CID 166126887
4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine
CID 167189739
4-[2-(2-fluoro-4-methylphenyl)ethenyl]pyridine
CID 176726557
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
4-[2-(2-chloro-4-methylphenyl)ethenyl]pyridine
CID 176726563
4-chloro-2-[(E)-2-pyridin-4-ylethenyl]phenol
CID 150300017
4-[(1E,3E,5E)-6-pyridin-4-ylhexa-1,3,5-trienyl]pyridine
CID 139077080
4-[(Z)-2-(2-bromophenyl)ethenyl]pyridine;hydrochloride
CID 54611204
4-[(E)-2-pyridin-4-ylethenyl]benzenethiol
CID 142469132
4-[2-(2-phenylphenyl)ethenyl]pyridine
CID 141095127
4-[(E)-2-naphthalen-1-ylethenyl]pyridine
CID 5475238

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine?
The IUPAC name of 4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine (CID 86183195) is 4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine.
What is the SMILES notation for 4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine?
The canonical SMILES for 4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine is C(=Cc1cc(C=Cc2ccncc2)c(C=Cc2ccncc2)cc1C=Cc1ccncc1)c1ccncc1.
What is the InChIKey of 4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine?
The InChIKey is INTRAMKSROTWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4/c1(27-9-17-35-18-10-27)5-31-25-33(7-3-29-13-21-37-22-14-29)34(8-4-30-15-23-38-24-16-30)26-32(31)6-2-28-11-19-36-20-12-28/h1-26H.
What are the key properties of 4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine?
4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine has a molecular weight of 490.61 g/mol, XLogP of 7.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine is sourced from PubChem (CID 86183195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).