3-[(E)-2-pyren-1-ylethenyl]pyridine

C23H15N — CID 176966606

IUPAC3-[(E)-2-pyren-1-ylethenyl]pyridine
SMILESC(=C/c1ccc2ccc3cccc4ccc1c2c34)\c1cccnc1
InChIInChI=1S/C23H15N/c1-4-18-10-11-20-9-8-17(7-6-16-3-2-14-24-15-16)21-13-12-19(5-1)22(18)23(20)21/h1-15H/b7-6+
InChIKeyUWFAUWUYQHMFMB-VOTSOKGWSA-N
MW305.38 g/mol
LogP6.15
Rot. Bonds2

About 3-[(E)-2-pyren-1-ylethenyl]pyridine

3-[(E)-2-pyren-1-ylethenyl]pyridine (PubChem CID 176966606) has the molecular formula C23H15N and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[(E)-2-pyren-1-ylethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-pyren-1-ylethenyl]pyridine
PubChem CID176966606
Molecular FormulaC23H15N
Molecular Weight305.38 g/mol
Exact Mass305.12
IUPAC Name3-[(E)-2-pyren-1-ylethenyl]pyridine
SMILESC(=C/c1ccc2ccc3cccc4ccc1c2c34)\c1cccnc1
InChIInChI=1S/C23H15N/c1-4-18-10-11-20-9-8-17(7-6-16-3-2-14-24-15-16)21-13-12-19(5-1)22(18)23(20)21/h1-15H/b7-6+
InChIKeyUWFAUWUYQHMFMB-VOTSOKGWSA-N
XLogP6.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[(E)-2-pyren-1-ylethenyl]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

3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
3-[(E)-2-pyridin-3-ylethenyl]-1H-benzo[g]indole
CID 53392943
4-[(E)-2-pyren-1-ylethenyl]-2-[2-[2-[4-[(E)-2-pyren-1-ylethenyl]-2-pyridinyl]phenyl]phenyl]pyridine
CID 156772074
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
1-[2-(2-chlorophenyl)ethenyl]pyrene
CID 71329845
3-pyren-1-ylpyridine
CID 58924967
2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine
CID 138968741
1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene
CID 56647690
(E)-3-pyren-1-ylprop-2-enal
CID 102183724
3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294
1-[(E)-2-anthracen-9-ylethenyl]pyrene
CID 102439773

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-pyren-1-ylethenyl]pyridine?
The IUPAC name of 3-[(E)-2-pyren-1-ylethenyl]pyridine (CID 176966606) is 3-[(E)-2-pyren-1-ylethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-pyren-1-ylethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-pyren-1-ylethenyl]pyridine is C(=C/c1ccc2ccc3cccc4ccc1c2c34)\c1cccnc1.
What is the InChIKey of 3-[(E)-2-pyren-1-ylethenyl]pyridine?
The InChIKey is UWFAUWUYQHMFMB-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H15N/c1-4-18-10-11-20-9-8-17(7-6-16-3-2-14-24-15-16)21-13-12-19(5-1)22(18)23(20)21/h1-15H/b7-6+.
What are the key properties of 3-[(E)-2-pyren-1-ylethenyl]pyridine?
3-[(E)-2-pyren-1-ylethenyl]pyridine has a molecular weight of 305.38 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-pyren-1-ylethenyl]pyridine is sourced from PubChem (CID 176966606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).