2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine

C34H41BrN2 — CID 162419125

IUPAC2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine
SMILESCC(C)(C)c1cc(-c2ccc(Br)cc2)nc(-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)n2)c1
InChIInChI=1S/C34H41BrN2/c1-32(2,3)25-14-28(24-7-9-27(35)10-8-24)36-29(15-25)30-16-26(33(4,5)6)17-31(37-30)34-18-21-11-22(19-34)13-23(12-21)20-34/h7-10,14-17,21-23H,11-13,18-20H2,1-6H3
InChIKeyMIRHJXLPIXXCGJ-UHFFFAOYSA-N
MW557.62 g/mol
LogP9.64
Rot. Bonds3

About 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine

2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine (PubChem CID 162419125) has the molecular formula C34H41BrN2 and a molecular weight of 557.62 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine.

Molecular Properties

Compound Name2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine
PubChem CID162419125
Molecular FormulaC34H41BrN2
Molecular Weight557.62 g/mol
Exact Mass556.25
IUPAC Name2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine
SMILESCC(C)(C)c1cc(-c2ccc(Br)cc2)nc(-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)n2)c1
InChIInChI=1S/C34H41BrN2/c1-32(2,3)25-14-28(24-7-9-27(35)10-8-24)36-29(15-25)30-16-26(33(4,5)6)17-31(37-30)34-18-21-11-22(19-34)13-23(12-21)20-34/h7-10,14-17,21-23H,11-13,18-20H2,1-6H3
InChIKeyMIRHJXLPIXXCGJ-UHFFFAOYSA-N
XLogP9.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.62
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)-4,6-diphenylpyridine
CID 2801866
4-(4-Bromophenyl)-2,6-diphenylpyridine
CID 633486
2-(4-Bromophenyl)-6-tert-butyl-4-phenylpyridine
CID 1727300
2,6-Bis(4-bromophenyl)-4-phenylpyridine
CID 1806873
4-(3-Bromophenyl)-2,6-diphenylpyridine
CID 3730816
2-(4-Bromophenyl)-6-phenylpyridine
CID 10018239
2,2'-Bipyridine, 4,4'-bis(1,1-dimethylethyl)-6,6'-diphenyl-
CID 11711463
4-[1-(2,6-Diphenylpyridin-4-yl)-2-phenylethyl]-2,6-diphenylpyridine
CID 3109175
3-Bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine
CID 20822452
(4-Methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;tetrakis(4-bromophenyl)boranuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide
CID 123875725
(1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine
CID 143010108
2-(4-Bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine
CID 147160658

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine?
The IUPAC name of 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine (CID 162419125) is 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine.
What is the SMILES notation for 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine?
The canonical SMILES for 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine is CC(C)(C)c1cc(-c2ccc(Br)cc2)nc(-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)n2)c1.
What is the InChIKey of 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine?
The InChIKey is MIRHJXLPIXXCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41BrN2/c1-32(2,3)25-14-28(24-7-9-27(35)10-8-24)36-29(15-25)30-16-26(33(4,5)6)17-31(37-30)34-18-21-11-22(19-34)13-23(12-21)20-34/h7-10,14-17,21-23H,11-13,18-20H2,1-6H3.
What are the key properties of 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine?
2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine has a molecular weight of 557.62 g/mol, XLogP of 9.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-6-[6-(4-bromophenyl)-4-tert-butyl-2-pyridinyl]-4-tert-butylpyridine is sourced from PubChem (CID 162419125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).