bis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane

C25H17BCl3N — CID 24828915

IUPACbis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane
SMILESClc1ccc(B(/C(=C\c2ccccn2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H17BCl3N/c27-21-10-4-18(5-11-21)25(17-24-3-1-2-16-30-24)26(19-6-12-22(28)13-7-19)20-8-14-23(29)15-9-20/h1-17H/b25-17-
InChIKeyMGAMCJCMZBQGGR-UQQQWYQISA-N
MW448.59 g/mol
LogP6.43
Rot. Bonds5

About bis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane

bis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane (PubChem CID 24828915) has the molecular formula C25H17BCl3N and a molecular weight of 448.59 g/mol. Its IUPAC name is bis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane.

Molecular Properties

Compound Namebis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane
PubChem CID24828915
Molecular FormulaC25H17BCl3N
Molecular Weight448.59 g/mol
Exact Mass447.05
IUPAC Namebis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane
SMILESClc1ccc(B(/C(=C\c2ccccn2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H17BCl3N/c27-21-10-4-18(5-11-21)25(17-24-3-1-2-16-30-24)26(19-6-12-22(28)13-7-19)20-8-14-23(29)15-9-20/h1-17H/b25-17-
InChIKeyMGAMCJCMZBQGGR-UQQQWYQISA-N
XLogP6.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane?
The IUPAC name of bis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane (CID 24828915) is bis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane.
What is the SMILES notation for bis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane?
The canonical SMILES for bis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane is Clc1ccc(B(/C(=C\c2ccccn2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of bis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane?
The InChIKey is MGAMCJCMZBQGGR-UQQQWYQISA-N. The full InChI is InChI=1S/C25H17BCl3N/c27-21-10-4-18(5-11-21)25(17-24-3-1-2-16-30-24)26(19-6-12-22(28)13-7-19)20-8-14-23(29)15-9-20/h1-17H/b25-17-.
What are the key properties of bis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane?
bis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane has a molecular weight of 448.59 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)-[(E)-1-(4-chlorophenyl)-2-pyridin-2-ylethenyl]borane is sourced from PubChem (CID 24828915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).