4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine

C26H16Cl2N2O — CID 6418102

IUPAC4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine
SMILESClc1ccc(Cl)c(-c2ccc(-c3cc(-c4ccccc4)nnc3-c3ccccc3)o2)c1
InChIInChI=1S/C26H16Cl2N2O/c27-19-11-12-22(28)20(15-19)24-13-14-25(31-24)21-16-23(17-7-3-1-4-8-17)29-30-26(21)18-9-5-2-6-10-18/h1-16H
InChIKeyICDPMJUXXHNDRY-UHFFFAOYSA-N
MW443.33 g/mol
LogP8.04
Rot. Bonds4

About 4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine

4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine (PubChem CID 6418102) has the molecular formula C26H16Cl2N2O and a molecular weight of 443.33 g/mol. Its IUPAC name is 4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine.

Molecular Properties

Compound Name4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine
PubChem CID6418102
Molecular FormulaC26H16Cl2N2O
Molecular Weight443.33 g/mol
Exact Mass442.06
IUPAC Name4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine
SMILESClc1ccc(Cl)c(-c2ccc(-c3cc(-c4ccccc4)nnc3-c3ccccc3)o2)c1
InChIInChI=1S/C26H16Cl2N2O/c27-19-11-12-22(28)20(15-19)24-13-14-25(31-24)21-16-23(17-7-3-1-4-8-17)29-30-26(21)18-9-5-2-6-10-18/h1-16H
InChIKeyICDPMJUXXHNDRY-UHFFFAOYSA-N
XLogP8.04
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine?
The IUPAC name of 4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine (CID 6418102) is 4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine.
What is the SMILES notation for 4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine?
The canonical SMILES for 4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine is Clc1ccc(Cl)c(-c2ccc(-c3cc(-c4ccccc4)nnc3-c3ccccc3)o2)c1.
What is the InChIKey of 4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine?
The InChIKey is ICDPMJUXXHNDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2N2O/c27-19-11-12-22(28)20(15-19)24-13-14-25(31-24)21-16-23(17-7-3-1-4-8-17)29-30-26(21)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine?
4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine has a molecular weight of 443.33 g/mol, XLogP of 8.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,5-dichlorophenyl)furan-2-yl]-3,6-diphenylpyridazine is sourced from PubChem (CID 6418102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).