4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine

C40H28N2 — CID 156785392

IUPAC4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine
SMILESC(=C/c1c2ccccc2c(/C=C/c2ccc(-c3ccncc3)cc2)c2ccccc12)\c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C40H28N2/c1-2-6-36-35(5-1)39(19-13-29-9-15-31(16-10-29)33-21-25-41-26-22-33)37-7-3-4-8-38(37)40(36)20-14-30-11-17-32(18-12-30)34-23-27-42-28-24-34/h1-28H/b19-13+,20-14+
InChIKeyCTRPFNNZLHARFH-IWGRKNQJSA-N
MW536.68 g/mol
LogP10.46
Rot. Bonds6

About 4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine

4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine (PubChem CID 156785392) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine
PubChem CID156785392
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine
SMILESC(=C/c1c2ccccc2c(/C=C/c2ccc(-c3ccncc3)cc2)c2ccccc12)\c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C40H28N2/c1-2-6-36-35(5-1)39(19-13-29-9-15-31(16-10-29)33-21-25-41-26-22-33)37-7-3-4-8-38(37)40(36)20-14-30-11-17-32(18-12-30)34-23-27-42-28-24-34/h1-28H/b19-13+,20-14+
InChIKeyCTRPFNNZLHARFH-IWGRKNQJSA-N
XLogP10.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]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

4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
9-bromo-10-[(E)-2-phenylethenyl]anthracene
CID 102276385
9-[2-(4-isocyanophenyl)ethenyl]-10-(2-phenylethenyl)anthracene
CID 87268979
2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
CID 122628095
4-[(E)-2-naphthalen-1-ylethenyl]pyridine
CID 5475238
9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
CID 15074034
azane;4-phenylpyridine
CID 175775455
9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene
CID 58963379
4-[10-[10-[(E)-2-phenylethenyl]anthracen-9-yl]anthracen-9-yl]-N,N-bis[4-[10-[10-[(E)-2-phenylethenyl]anthracen-9-yl]anthracen-9-yl]phenyl]aniline
CID 59742127
9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
2-[2-(4-phenylphenyl)ethenyl]pyridine
CID 66775790
N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline
CID 101360915

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine?
The IUPAC name of 4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine (CID 156785392) is 4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine.
What is the SMILES notation for 4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine?
The canonical SMILES for 4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine is C(=C/c1c2ccccc2c(/C=C/c2ccc(-c3ccncc3)cc2)c2ccccc12)\c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine?
The InChIKey is CTRPFNNZLHARFH-IWGRKNQJSA-N. The full InChI is InChI=1S/C40H28N2/c1-2-6-36-35(5-1)39(19-13-29-9-15-31(16-10-29)33-21-25-41-26-22-33)37-7-3-4-8-38(37)40(36)20-14-30-11-17-32(18-12-30)34-23-27-42-28-24-34/h1-28H/b19-13+,20-14+.
What are the key properties of 4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine?
4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine has a molecular weight of 536.68 g/mol, XLogP of 10.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-2-[10-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]anthracen-9-yl]ethenyl]phenyl]pyridine is sourced from PubChem (CID 156785392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).