4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine

C42H32N2 — CID 3109175

IUPAC4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine
SMILESc1ccc(CC(c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C42H32N2/c1-6-16-31(17-7-1)26-38(36-27-39(32-18-8-2-9-19-32)43-40(28-36)33-20-10-3-11-21-33)37-29-41(34-22-12-4-13-23-34)44-42(30-37)35-24-14-5-15-25-35/h1-25,27-30,38H,26H2
InChIKeyPGROCVZRMFMYGH-UHFFFAOYSA-N
MW564.73 g/mol
LogP10.52
Rot. Bonds8

About 4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine

4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine (PubChem CID 3109175) has the molecular formula C42H32N2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine
PubChem CID3109175
Molecular FormulaC42H32N2
Molecular Weight564.73 g/mol
Exact Mass564.26
IUPAC Name4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine
SMILESc1ccc(CC(c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C42H32N2/c1-6-16-31(17-7-1)26-38(36-27-39(32-18-8-2-9-19-32)43-40(28-36)33-20-10-3-11-21-33)37-29-41(34-22-12-4-13-23-34)44-42(30-37)35-24-14-5-15-25-35/h1-25,27-30,38H,26H2
InChIKeyPGROCVZRMFMYGH-UHFFFAOYSA-N
XLogP10.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine (CID 3109175) is 4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine is c1ccc(CC(c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine?
The InChIKey is PGROCVZRMFMYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2/c1-6-16-31(17-7-1)26-38(36-27-39(32-18-8-2-9-19-32)43-40(28-36)33-20-10-3-11-21-33)37-29-41(34-22-12-4-13-23-34)44-42(30-37)35-24-14-5-15-25-35/h1-25,27-30,38H,26H2.
What are the key properties of 4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine?
4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine has a molecular weight of 564.73 g/mol, XLogP of 10.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-diphenyl-4-pyridinyl)-2-phenylethyl]-2,6-diphenylpyridine is sourced from PubChem (CID 3109175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).