5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine

C24H16Cl4N2 — CID 59629362

IUPAC5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine
SMILESCc1cc(-c2cc(Cl)cc(Cl)c2)cnc1-c1ncc(-c2cc(Cl)cc(Cl)c2)cc1C
InChIInChI=1S/C24H16Cl4N2/c1-13-3-17(15-5-19(25)9-20(26)6-15)11-29-23(13)24-14(2)4-18(12-30-24)16-7-21(27)10-22(28)8-16/h3-12H,1-2H3
InChIKeyVFVGDBZEUJJJKC-UHFFFAOYSA-N
MW474.22 g/mol
LogP8.71
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine

5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine (PubChem CID 59629362) has the molecular formula C24H16Cl4N2 and a molecular weight of 474.22 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine
PubChem CID59629362
Molecular FormulaC24H16Cl4N2
Molecular Weight474.22 g/mol
Exact Mass472.01
IUPAC Name5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine
SMILESCc1cc(-c2cc(Cl)cc(Cl)c2)cnc1-c1ncc(-c2cc(Cl)cc(Cl)c2)cc1C
InChIInChI=1S/C24H16Cl4N2/c1-13-3-17(15-5-19(25)9-20(26)6-15)11-29-23(13)24-14(2)4-18(12-30-24)16-7-21(27)10-22(28)8-16/h3-12H,1-2H3
InChIKeyVFVGDBZEUJJJKC-UHFFFAOYSA-N
XLogP8.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.22
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine?
The IUPAC name of 5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine (CID 59629362) is 5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine?
The canonical SMILES for 5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine is Cc1cc(-c2cc(Cl)cc(Cl)c2)cnc1-c1ncc(-c2cc(Cl)cc(Cl)c2)cc1C.
What is the InChIKey of 5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine?
The InChIKey is VFVGDBZEUJJJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl4N2/c1-13-3-17(15-5-19(25)9-20(26)6-15)11-29-23(13)24-14(2)4-18(12-30-24)16-7-21(27)10-22(28)8-16/h3-12H,1-2H3.
What are the key properties of 5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine?
5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine has a molecular weight of 474.22 g/mol, XLogP of 8.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-2-[5-(3,5-dichlorophenyl)-3-methyl-2-pyridinyl]-3-methylpyridine is sourced from PubChem (CID 59629362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).