4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine

C30H32N2 — CID 11711463

IUPAC4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine
SMILESCC(C)(C)c1cc(-c2ccccc2)nc(-c2cc(C(C)(C)C)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C30H32N2/c1-29(2,3)23-17-25(21-13-9-7-10-14-21)31-27(19-23)28-20-24(30(4,5)6)18-26(32-28)22-15-11-8-12-16-22/h7-20H,1-6H3
InChIKeyCIJOKUBJIKQETH-UHFFFAOYSA-N
MW420.60 g/mol
LogP8.07
Rot. Bonds3

About 4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine

4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine (PubChem CID 11711463) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine
PubChem CID11711463
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC Name4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine
SMILESCC(C)(C)c1cc(-c2ccccc2)nc(-c2cc(C(C)(C)C)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C30H32N2/c1-29(2,3)23-17-25(21-13-9-7-10-14-21)31-27(19-23)28-20-24(30(4,5)6)18-26(32-28)22-15-11-8-12-16-22/h7-20H,1-6H3
InChIKeyCIJOKUBJIKQETH-UHFFFAOYSA-N
XLogP8.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine?
The IUPAC name of 4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine (CID 11711463) is 4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine.
What is the SMILES notation for 4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine?
The canonical SMILES for 4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine is CC(C)(C)c1cc(-c2ccccc2)nc(-c2cc(C(C)(C)C)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine?
The InChIKey is CIJOKUBJIKQETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2/c1-29(2,3)23-17-25(21-13-9-7-10-14-21)31-27(19-23)28-20-24(30(4,5)6)18-26(32-28)22-15-11-8-12-16-22/h7-20H,1-6H3.
What are the key properties of 4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine?
4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine has a molecular weight of 420.60 g/mol, XLogP of 8.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-tert-butyl-6-phenyl-2-pyridinyl)-6-phenylpyridine is sourced from PubChem (CID 11711463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).