3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine

C26H15Cl3N2O — CID 18874749

IUPAC3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine
SMILESClc1ccc(-c2cc(-c3ccc(-c4cccc(Cl)c4)o3)c(-c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C26H15Cl3N2O/c27-19-8-4-16(5-9-19)23-15-22(26(31-30-23)17-6-10-20(28)11-7-17)25-13-12-24(32-25)18-2-1-3-21(29)14-18/h1-15H
InChIKeyUDKNSGZFZXNRDY-UHFFFAOYSA-N
MW477.78 g/mol
LogP8.70
Rot. Bonds4

About 3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine

3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine (PubChem CID 18874749) has the molecular formula C26H15Cl3N2O and a molecular weight of 477.78 g/mol. Its IUPAC name is 3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine.

Molecular Properties

Compound Name3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine
PubChem CID18874749
Molecular FormulaC26H15Cl3N2O
Molecular Weight477.78 g/mol
Exact Mass476.02
IUPAC Name3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine
SMILESClc1ccc(-c2cc(-c3ccc(-c4cccc(Cl)c4)o3)c(-c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C26H15Cl3N2O/c27-19-8-4-16(5-9-19)23-15-22(26(31-30-23)17-6-10-20(28)11-7-17)25-13-12-24(32-25)18-2-1-3-21(29)14-18/h1-15H
InChIKeyUDKNSGZFZXNRDY-UHFFFAOYSA-N
XLogP8.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.78
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine?
The IUPAC name of 3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine (CID 18874749) is 3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine.
What is the SMILES notation for 3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine?
The canonical SMILES for 3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine is Clc1ccc(-c2cc(-c3ccc(-c4cccc(Cl)c4)o3)c(-c3ccc(Cl)cc3)nn2)cc1.
What is the InChIKey of 3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine?
The InChIKey is UDKNSGZFZXNRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15Cl3N2O/c27-19-8-4-16(5-9-19)23-15-22(26(31-30-23)17-6-10-20(28)11-7-17)25-13-12-24(32-25)18-2-1-3-21(29)14-18/h1-15H.
What are the key properties of 3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine?
3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine has a molecular weight of 477.78 g/mol, XLogP of 8.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine is sourced from PubChem (CID 18874749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).