2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine

C34H28N2 — CID 70365717

IUPAC2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine
SMILESCc1ccc(C=C(c2ccccc2)c2ccccn2)c(C=C(c2ccccc2)c2ccccn2)c1C
InChIInChI=1S/C34H28N2/c1-25-19-20-29(23-31(27-13-5-3-6-14-27)33-17-9-11-21-35-33)30(26(25)2)24-32(28-15-7-4-8-16-28)34-18-10-12-22-36-34/h3-24H,1-2H3
InChIKeyLLTMLINSDQFGQC-UHFFFAOYSA-N
MW464.61 g/mol
LogP8.27
Rot. Bonds6

About 2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine

2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine (PubChem CID 70365717) has the molecular formula C34H28N2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine.

Molecular Properties

Compound Name2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine
PubChem CID70365717
Molecular FormulaC34H28N2
Molecular Weight464.61 g/mol
Exact Mass464.23
IUPAC Name2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine
SMILESCc1ccc(C=C(c2ccccc2)c2ccccn2)c(C=C(c2ccccc2)c2ccccn2)c1C
InChIInChI=1S/C34H28N2/c1-25-19-20-29(23-31(27-13-5-3-6-14-27)33-17-9-11-21-35-33)30(26(25)2)24-32(28-15-7-4-8-16-28)34-18-10-12-22-36-34/h3-24H,1-2H3
InChIKeyLLTMLINSDQFGQC-UHFFFAOYSA-N
XLogP8.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine?
The IUPAC name of 2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine (CID 70365717) is 2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine.
What is the SMILES notation for 2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine?
The canonical SMILES for 2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine is Cc1ccc(C=C(c2ccccc2)c2ccccn2)c(C=C(c2ccccc2)c2ccccn2)c1C.
What is the InChIKey of 2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine?
The InChIKey is LLTMLINSDQFGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2/c1-25-19-20-29(23-31(27-13-5-3-6-14-27)33-17-9-11-21-35-33)30(26(25)2)24-32(28-15-7-4-8-16-28)34-18-10-12-22-36-34/h3-24H,1-2H3.
What are the key properties of 2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine?
2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine has a molecular weight of 464.61 g/mol, XLogP of 8.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,3-dimethyl-6-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine is sourced from PubChem (CID 70365717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).