2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine

C26H21N — CID 101134171

IUPAC2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine
SMILESCc1cccc(/C(=C/c2ccccc2)c2ccccc2)c1-c1ccccn1
InChIInChI=1S/C26H21N/c1-20-11-10-16-23(26(20)25-17-8-9-18-27-25)24(22-14-6-3-7-15-22)19-21-12-4-2-5-13-21/h2-19H,1H3/b24-19+
InChIKeyGMVVTMQIPNUZBO-LYBHJNIJSA-N
MW347.46 g/mol
LogP6.65
Rot. Bonds4

About 2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine

2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine (PubChem CID 101134171) has the molecular formula C26H21N and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine.

Molecular Properties

Compound Name2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine
PubChem CID101134171
Molecular FormulaC26H21N
Molecular Weight347.46 g/mol
Exact Mass347.17
IUPAC Name2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine
SMILESCc1cccc(/C(=C/c2ccccc2)c2ccccc2)c1-c1ccccn1
InChIInChI=1S/C26H21N/c1-20-11-10-16-23(26(20)25-17-8-9-18-27-25)24(22-14-6-3-7-15-22)19-21-12-4-2-5-13-21/h2-19H,1H3/b24-19+
InChIKeyGMVVTMQIPNUZBO-LYBHJNIJSA-N
XLogP6.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-diphenylethenylbenzene;2-methylphenol
CID 159908422
2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine
CID 101134169
1,2-diphenylethenylbenzene;quinoxaline
CID 175322673
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine
CID 101134170
1-chloro-2-[(E)-1,2-diphenylethenyl]benzene
CID 175564265
1-[(Z)-1,2-diphenylethenyl]naphthalene
CID 11347319
1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 11380988
2-[2-[(E)-1,2-diphenylethenyl]phenyl]propan-2-amine
CID 102527150
5-[(E)-1,2-diphenylethenyl]-N-propan-2-yl-6-pyridin-2-ylpyridine-2-carboxamide
CID 166440950
CID 172843956
CID 172843956
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine?
The IUPAC name of 2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine (CID 101134171) is 2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine.
What is the SMILES notation for 2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine?
The canonical SMILES for 2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine is Cc1cccc(/C(=C/c2ccccc2)c2ccccc2)c1-c1ccccn1.
What is the InChIKey of 2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine?
The InChIKey is GMVVTMQIPNUZBO-LYBHJNIJSA-N. The full InChI is InChI=1S/C26H21N/c1-20-11-10-16-23(26(20)25-17-8-9-18-27-25)24(22-14-6-3-7-15-22)19-21-12-4-2-5-13-21/h2-19H,1H3/b24-19+.
What are the key properties of 2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine?
2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine has a molecular weight of 347.46 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine is sourced from PubChem (CID 101134171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).