3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine

C26H16Cl2N2 — CID 18874711

IUPAC3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine
SMILESClc1ccccc1-c1cc(-c2ccc3ccccc3c2)c(-c2ccccc2Cl)nn1
InChIInChI=1S/C26H16Cl2N2/c27-23-11-5-3-9-20(23)25-16-22(19-14-13-17-7-1-2-8-18(17)15-19)26(30-29-25)21-10-4-6-12-24(21)28/h1-16H
InChIKeyPPFVWYJWKSOWNQ-UHFFFAOYSA-N
MW427.33 g/mol
LogP7.94
Rot. Bonds3

About 3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine

3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine (PubChem CID 18874711) has the molecular formula C26H16Cl2N2 and a molecular weight of 427.33 g/mol. Its IUPAC name is 3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine.

Molecular Properties

Compound Name3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine
PubChem CID18874711
Molecular FormulaC26H16Cl2N2
Molecular Weight427.33 g/mol
Exact Mass426.07
IUPAC Name3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine
SMILESClc1ccccc1-c1cc(-c2ccc3ccccc3c2)c(-c2ccccc2Cl)nn1
InChIInChI=1S/C26H16Cl2N2/c27-23-11-5-3-9-20(23)25-16-22(19-14-13-17-7-1-2-8-18(17)15-19)26(30-29-25)21-10-4-6-12-24(21)28/h1-16H
InChIKeyPPFVWYJWKSOWNQ-UHFFFAOYSA-N
XLogP7.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-bis(2-chlorophenyl)-4-phenylpyridazine
CID 18874698
2-chloro-3-(3-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 86035630
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173
2-[2-(2-naphthalen-2-ylphenyl)sulfanylphenyl]naphthalene
CID 67159688
2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene
CID 171525540
4-bromo-3-chloro-6-(2-chlorophenyl)pyridazine
CID 117107066
2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 174244399
1,2-dichlorobenzene;naphthalene
CID 162050769
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
4-chloro-2-naphthalen-2-ylaniline
CID 81275231
2-chloro-4-(2-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 171731283

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine?
The IUPAC name of 3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine (CID 18874711) is 3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine.
What is the SMILES notation for 3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine?
The canonical SMILES for 3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine is Clc1ccccc1-c1cc(-c2ccc3ccccc3c2)c(-c2ccccc2Cl)nn1.
What is the InChIKey of 3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine?
The InChIKey is PPFVWYJWKSOWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2N2/c27-23-11-5-3-9-20(23)25-16-22(19-14-13-17-7-1-2-8-18(17)15-19)26(30-29-25)21-10-4-6-12-24(21)28/h1-16H.
What are the key properties of 3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine?
3,6-bis(2-chlorophenyl)-4-naphthalen-2-ylpyridazine has a molecular weight of 427.33 g/mol, XLogP of 7.94, 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-naphthalen-2-ylpyridazine is sourced from PubChem (CID 18874711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).