2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine

C28H28N2 — CID 101454963

IUPAC2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine
SMILESCc1ccc(C(c2ccc(C)cc2)C(c2ccc(C)cn2)c2ccc(C)cn2)cc1
InChIInChI=1S/C28H28N2/c1-19-5-11-23(12-6-19)27(24-13-7-20(2)8-14-24)28(25-15-9-21(3)17-29-25)26-16-10-22(4)18-30-26/h5-18,27-28H,1-4H3
InChIKeyVAWPKDQHUROVRC-UHFFFAOYSA-N
MW392.55 g/mol
LogP6.67
Rot. Bonds5

About 2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine

2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine (PubChem CID 101454963) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine
PubChem CID101454963
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC Name2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine
SMILESCc1ccc(C(c2ccc(C)cc2)C(c2ccc(C)cn2)c2ccc(C)cn2)cc1
InChIInChI=1S/C28H28N2/c1-19-5-11-23(12-6-19)27(24-13-7-20(2)8-14-24)28(25-15-9-21(3)17-29-25)26-16-10-22(4)18-30-26/h5-18,27-28H,1-4H3
InChIKeyVAWPKDQHUROVRC-UHFFFAOYSA-N
XLogP6.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine?
The IUPAC name of 2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine (CID 101454963) is 2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine is Cc1ccc(C(c2ccc(C)cc2)C(c2ccc(C)cn2)c2ccc(C)cn2)cc1.
What is the InChIKey of 2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine?
The InChIKey is VAWPKDQHUROVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-19-5-11-23(12-6-19)27(24-13-7-20(2)8-14-24)28(25-15-9-21(3)17-29-25)26-16-10-22(4)18-30-26/h5-18,27-28H,1-4H3.
What are the key properties of 2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine?
2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine has a molecular weight of 392.55 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(4-methylphenyl)-1-(5-methyl-2-pyridinyl)ethyl]-5-methylpyridine is sourced from PubChem (CID 101454963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).