3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine

C27H21N3 — CID 175663425

IUPAC3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
SMILESC(=C/c1cc(/C=C/c2cccnc2)cc(/C=C/c2cccnc2)c1)\c1cccnc1
InChIInChI=1S/C27H21N3/c1-4-22(19-28-13-1)7-10-25-16-26(11-8-23-5-2-14-29-20-23)18-27(17-25)12-9-24-6-3-15-30-21-24/h1-21H/b10-7+,11-8+,12-9+
InChIKeyLKPCLWGXKVROLQ-SRDSWEMOSA-N
MW387.49 g/mol
LogP6.38
Rot. Bonds6

About 3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine

3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine (PubChem CID 175663425) has the molecular formula C27H21N3 and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
PubChem CID175663425
Molecular FormulaC27H21N3
Molecular Weight387.49 g/mol
Exact Mass387.17
IUPAC Name3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
SMILESC(=C/c1cc(/C=C/c2cccnc2)cc(/C=C/c2cccnc2)c1)\c1cccnc1
InChIInChI=1S/C27H21N3/c1-4-22(19-28-13-1)7-10-25-16-26(11-8-23-5-2-14-29-20-23)18-27(17-25)12-9-24-6-3-15-30-21-24/h1-21H/b10-7+,11-8+,12-9+
InChIKeyLKPCLWGXKVROLQ-SRDSWEMOSA-N
XLogP6.38
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 ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
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CID 19937846
3-[(E)-2-(3-bromophenyl)ethenyl]pyridine
CID 69086206
3-methyl-5-[(Z)-2-pyridin-3-ylethenyl]pyridine
CID 143613503
3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294
3-[(Z)-2-pyridin-3-ylethenyl]phenol
CID 70505429
3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
CID 5388745
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
[(E)-2-pyridin-3-ylethenyl] thiohypochlorite
CID 142599009
(E)-2-pyridin-3-ylethenesulfonamide
CID 14912437
3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine
CID 141207818
3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine
CID 143368310

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine?
The IUPAC name of 3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine (CID 175663425) is 3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine is C(=C/c1cc(/C=C/c2cccnc2)cc(/C=C/c2cccnc2)c1)\c1cccnc1.
What is the InChIKey of 3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine?
The InChIKey is LKPCLWGXKVROLQ-SRDSWEMOSA-N. The full InChI is InChI=1S/C27H21N3/c1-4-22(19-28-13-1)7-10-25-16-26(11-8-23-5-2-14-29-20-23)18-27(17-25)12-9-24-6-3-15-30-21-24/h1-21H/b10-7+,11-8+,12-9+.
What are the key properties of 3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine?
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine has a molecular weight of 387.49 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine is sourced from PubChem (CID 175663425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).