2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine

C51H53N — CID 175988132

IUPAC2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine
SMILESCc1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(C45CC6CC(CC(C6)C4)C5)c3)n2)cc(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C51H53N/c1-32-14-40(24-42(16-32)50-26-34-18-35(27-50)20-36(19-34)28-50)44-8-3-5-10-46(44)48-12-7-13-49(52-48)47-11-6-4-9-45(47)41-15-33(2)17-43(25-41)51-29-37-21-38(30-51)23-39(22-37)31-51/h3-17,24-25,34-39H,18-23,26-31H2,1-2H3
InChIKeySDMBHXWRUPKTKG-UHFFFAOYSA-N
MW679.99 g/mol
LogP13.30
Rot. Bonds6

About 2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine

2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine (PubChem CID 175988132) has the molecular formula C51H53N and a molecular weight of 679.99 g/mol. Its IUPAC name is 2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine.

Molecular Properties

Compound Name2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine
PubChem CID175988132
Molecular FormulaC51H53N
Molecular Weight679.99 g/mol
Exact Mass679.42
IUPAC Name2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine
SMILESCc1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(C45CC6CC(CC(C6)C4)C5)c3)n2)cc(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C51H53N/c1-32-14-40(24-42(16-32)50-26-34-18-35(27-50)20-36(19-34)28-50)44-8-3-5-10-46(44)48-12-7-13-49(52-48)47-11-6-4-9-45(47)41-15-33(2)17-43(25-41)51-29-37-21-38(30-51)23-39(22-37)31-51/h3-17,24-25,34-39H,18-23,26-31H2,1-2H3
InChIKeySDMBHXWRUPKTKG-UHFFFAOYSA-N
XLogP13.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.99
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]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

2,6-bis[2-[3-(1-adamantyl)-5-tert-butylphenyl]-5-methylphenyl]pyridine
CID 175988123
1-[3-(1-adamantyl)-5-methylphenyl]adamantane
CID 178165770
2,4-bis(1-adamantyl)-6-[2-[6-[2-[3,5-bis(1-adamantyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]phenyl]phenol;methanidylbenzene;zirconium
CID 154622637
1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole
CID 169054774
2'-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]spiro[cyclopentane-1,9'-fluorene]
CID 169055143
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-methyl-2-oxidophenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-methylphenolate;carbanide;hafnium(4+)
CID 175694416
4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride
CID 44657953
4-(1-adamantyl)-2,6-dimethylpyrylium perchlorate
CID 45048323
2-(1-adamantyl)-6-[3-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]phenyl]-4-methylphenol
CID 102159811
[3-[6-[4-[3-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-1-adamantyl]phenyl]-2-pyridinyl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140705324
2-(1-adamantyl)-9,9-dimethylfluorene
CID 59217277
5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione
CID 4536341

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine?
The IUPAC name of 2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine (CID 175988132) is 2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine.
What is the SMILES notation for 2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine?
The canonical SMILES for 2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine is Cc1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(C45CC6CC(CC(C6)C4)C5)c3)n2)cc(C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine?
The InChIKey is SDMBHXWRUPKTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H53N/c1-32-14-40(24-42(16-32)50-26-34-18-35(27-50)20-36(19-34)28-50)44-8-3-5-10-46(44)48-12-7-13-49(52-48)47-11-6-4-9-45(47)41-15-33(2)17-43(25-41)51-29-37-21-38(30-51)23-39(22-37)31-51/h3-17,24-25,34-39H,18-23,26-31H2,1-2H3.
What are the key properties of 2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine?
2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine has a molecular weight of 679.99 g/mol, XLogP of 13.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-[3-(1-adamantyl)-5-methylphenyl]phenyl]pyridine is sourced from PubChem (CID 175988132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).