3,6-bis(2-chlorophenyl)-4-phenylpyridazine

C22H14Cl2N2 — CID 18874698

IUPAC3,6-bis(2-chlorophenyl)-4-phenylpyridazine
SMILESClc1ccccc1-c1cc(-c2ccccc2)c(-c2ccccc2Cl)nn1
InChIInChI=1S/C22H14Cl2N2/c23-19-12-6-4-10-16(19)21-14-18(15-8-2-1-3-9-15)22(26-25-21)17-11-5-7-13-20(17)24/h1-14H
InChIKeyBDULCDPITXRPNR-UHFFFAOYSA-N
MW377.27 g/mol
LogP6.78
Rot. Bonds3

About 3,6-bis(2-chlorophenyl)-4-phenylpyridazine

3,6-bis(2-chlorophenyl)-4-phenylpyridazine (PubChem CID 18874698) has the molecular formula C22H14Cl2N2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 3,6-bis(2-chlorophenyl)-4-phenylpyridazine.

Molecular Properties

Compound Name3,6-bis(2-chlorophenyl)-4-phenylpyridazine
PubChem CID18874698
Molecular FormulaC22H14Cl2N2
Molecular Weight377.27 g/mol
Exact Mass376.05
IUPAC Name3,6-bis(2-chlorophenyl)-4-phenylpyridazine
SMILESClc1ccccc1-c1cc(-c2ccccc2)c(-c2ccccc2Cl)nn1
InChIInChI=1S/C22H14Cl2N2/c23-19-12-6-4-10-16(19)21-14-18(15-8-2-1-3-9-15)22(26-25-21)17-11-5-7-13-20(17)24/h1-14H
InChIKeyBDULCDPITXRPNR-UHFFFAOYSA-N
XLogP6.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-chlorophenyl)-4-phenylpyridazine?
The IUPAC name of 3,6-bis(2-chlorophenyl)-4-phenylpyridazine (CID 18874698) is 3,6-bis(2-chlorophenyl)-4-phenylpyridazine.
What is the SMILES notation for 3,6-bis(2-chlorophenyl)-4-phenylpyridazine?
The canonical SMILES for 3,6-bis(2-chlorophenyl)-4-phenylpyridazine is Clc1ccccc1-c1cc(-c2ccccc2)c(-c2ccccc2Cl)nn1.
What is the InChIKey of 3,6-bis(2-chlorophenyl)-4-phenylpyridazine?
The InChIKey is BDULCDPITXRPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2/c23-19-12-6-4-10-16(19)21-14-18(15-8-2-1-3-9-15)22(26-25-21)17-11-5-7-13-20(17)24/h1-14H.
What are the key properties of 3,6-bis(2-chlorophenyl)-4-phenylpyridazine?
3,6-bis(2-chlorophenyl)-4-phenylpyridazine has a molecular weight of 377.27 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-chlorophenyl)-4-phenylpyridazine is sourced from PubChem (CID 18874698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).