4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C30H46B2N2O4 — CID 11562664

IUPAC4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)nc(-c2cc(C(C)(C)C)cc(B3OC(C)(C)C(C)(C)O3)n2)c1
InChIInChI=1S/C30H46B2N2O4/c1-25(2,3)19-15-21(33-23(17-19)31-35-27(7,8)28(9,10)36-31)22-16-20(26(4,5)6)18-24(34-22)32-37-29(11,12)30(13,14)38-32/h15-18H,1-14H3
InChIKeyKYIMQMQYUULRAN-UHFFFAOYSA-N
MW520.33 g/mol
LogP5.34
Rot. Bonds3

About 4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 11562664) has the molecular formula C30H46B2N2O4 and a molecular weight of 520.33 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID11562664
Molecular FormulaC30H46B2N2O4
Molecular Weight520.33 g/mol
Exact Mass520.36
IUPAC Name4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)nc(-c2cc(C(C)(C)C)cc(B3OC(C)(C)C(C)(C)O3)n2)c1
InChIInChI=1S/C30H46B2N2O4/c1-25(2,3)19-15-21(33-23(17-19)31-35-27(7,8)28(9,10)36-31)22-16-20(26(4,5)6)18-24(34-22)32-37-29(11,12)30(13,14)38-32/h15-18H,1-14H3
InChIKeyKYIMQMQYUULRAN-UHFFFAOYSA-N
XLogP5.34
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.33
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(Z)-(3,5-dimethylpyrrol-2-ylidene)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3,5-dimethylpyrrol-1-yl]-difluoroborane
CID 139258924
2-Fluoro-6-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine
CID 137700634
2-(2-fluorophenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-cyclopenta[b]pyridine
CID 160408306
Ethane;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 162120938
2-Tert-butyl-6-(4,4-difluorocyclohexyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 169248983
2-Tert-butyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine
CID 169256351
2-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-(trifluoromethyl)pyridine
CID 172517319
6-ethyl-3-[(Z)-2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-methylpyridine
CID 173950732
4-(2-Pyridyl)pyridine-2-boronic acid pinacol ester
CID 45786069
2,6-bis[3,4-diethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrol-2-yl]pyridine
CID 101579786
4,4'-bis(Bpin)-2,2'-bipyridine
CID 122228351
4-(Tert-butyl)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 134962011

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 11562664) is 4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)nc(-c2cc(C(C)(C)C)cc(B3OC(C)(C)C(C)(C)O3)n2)c1.
What is the InChIKey of 4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is KYIMQMQYUULRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46B2N2O4/c1-25(2,3)19-15-21(33-23(17-19)31-35-27(7,8)28(9,10)36-31)22-16-20(26(4,5)6)18-24(34-22)32-37-29(11,12)30(13,14)38-32/h15-18H,1-14H3.
What are the key properties of 4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 520.33 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 11562664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).