2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine

C28H20N2 — CID 72683399

IUPAC2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine
SMILESC(=Cc1c2ccccc2c(C=Cc2ccccn2)c2ccccc12)c1ccccn1
InChIInChI=1S/C28H20N2/c1-2-12-24-23(11-1)27(17-15-21-9-5-7-19-29-21)25-13-3-4-14-26(25)28(24)18-16-22-10-6-8-20-30-22/h1-20H
InChIKeyJQUDLDQJAWJZIQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP7.12
Rot. Bonds4

About 2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine

2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine (PubChem CID 72683399) has the molecular formula C28H20N2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine.

Molecular Properties

Compound Name2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine
PubChem CID72683399
Molecular FormulaC28H20N2
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC Name2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine
SMILESC(=Cc1c2ccccc2c(C=Cc2ccccn2)c2ccccc12)c1ccccn1
InChIInChI=1S/C28H20N2/c1-2-12-24-23(11-1)27(17-15-21-9-5-7-19-29-21)25-13-3-4-14-26(25)28(24)18-16-22-10-6-8-20-30-22/h1-20H
InChIKeyJQUDLDQJAWJZIQ-UHFFFAOYSA-N
XLogP7.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine?
The IUPAC name of 2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine (CID 72683399) is 2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine.
What is the SMILES notation for 2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine?
The canonical SMILES for 2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine is C(=Cc1c2ccccc2c(C=Cc2ccccn2)c2ccccc12)c1ccccn1.
What is the InChIKey of 2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine?
The InChIKey is JQUDLDQJAWJZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2/c1-2-12-24-23(11-1)27(17-15-21-9-5-7-19-29-21)25-13-3-4-14-26(25)28(24)18-16-22-10-6-8-20-30-22/h1-20H.
What are the key properties of 2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine?
2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine has a molecular weight of 384.48 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[10-(2-pyridin-2-ylethenyl)anthracen-9-yl]ethenyl]pyridine is sourced from PubChem (CID 72683399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).