2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine

C54H54N2 — CID 169048591

IUPAC2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine
SMILESCc1cc(CCc2ccc(-c3ccc(C(C)(C)C)cn3)cc2)cc(-c2ccccc2-c2ccc(-c3cc(-c4ccc(C5CCCCC5)cc4)c(C)cn3)cc2)c1
InChIInChI=1S/C54H54N2/c1-37-31-40(16-15-39-17-19-45(20-18-39)52-30-29-48(36-56-52)54(3,4)5)33-47(32-37)50-14-10-9-13-49(50)43-25-27-46(28-26-43)53-34-51(38(2)35-55-53)44-23-21-42(22-24-44)41-11-7-6-8-12-41/h9-10,13-14,17-36,41H,6-8,11-12,15-16H2,1-5H3
InChIKeyFKIUMRYYYGCQSA-UHFFFAOYSA-N
MW731.04 g/mol
LogP14.56
Rot. Bonds9

About 2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine

2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine (PubChem CID 169048591) has the molecular formula C54H54N2 and a molecular weight of 731.04 g/mol. Its IUPAC name is 2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine.

Molecular Properties

Compound Name2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine
PubChem CID169048591
Molecular FormulaC54H54N2
Molecular Weight731.04 g/mol
Exact Mass730.43
IUPAC Name2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine
SMILESCc1cc(CCc2ccc(-c3ccc(C(C)(C)C)cn3)cc2)cc(-c2ccccc2-c2ccc(-c3cc(-c4ccc(C5CCCCC5)cc4)c(C)cn3)cc2)c1
InChIInChI=1S/C54H54N2/c1-37-31-40(16-15-39-17-19-45(20-18-39)52-30-29-48(36-56-52)54(3,4)5)33-47(32-37)50-14-10-9-13-49(50)43-25-27-46(28-26-43)53-34-51(38(2)35-55-53)44-23-21-42(22-24-44)41-11-7-6-8-12-41/h9-10,13-14,17-36,41H,6-8,11-12,15-16H2,1-5H3
InChIKeyFKIUMRYYYGCQSA-UHFFFAOYSA-N
XLogP14.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.04
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]-5-methylphenyl]phenyl]benzene-6-id-1-yl]-4-(4-cyclopentylphenyl)-5-(trideuteriomethyl)pyridine;iridium
CID 169048467
4-(4-cyclohexylphenyl)-5-[2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenylpyridine
CID 169048532
2-[4-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]phenyl]-4-(4-cyclohexylphenyl)-5-(trideuteriomethyl)pyridine
CID 171404969
2-[4-[2-[3-[2-[4-[4-[4-(1-deuteriocyclopentyl)phenyl]-2-pyridinyl]phenyl]phenyl]-5-methylphenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 169048594
2-(4-tert-butylphenyl)-5-chloro-4-(4-cyclohexylphenyl)pyridine
CID 171405147
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-[4-(4-phenylphenyl)cyclohexyl]pyridine
CID 165149245
4-chloro-5-methyl-2-phenylpyridine;(4-cyclohexylphenyl)boronic acid;4-(4-cyclohexylphenyl)-5-methyl-2-phenylpyridine;methane
CID 159280073
4-[4-[1-(2,2-dimethylpropyl)cyclohexyl]phenyl]-2-[4-[2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 169048564
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine
CID 165148497
2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine
CID 169048659
CID 161384544
CID 161384544
4-[4-(1-deuteriocyclohexyl)phenyl]-2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 169048526

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine?
The IUPAC name of 2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine (CID 169048591) is 2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine.
What is the SMILES notation for 2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine?
The canonical SMILES for 2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine is Cc1cc(CCc2ccc(-c3ccc(C(C)(C)C)cn3)cc2)cc(-c2ccccc2-c2ccc(-c3cc(-c4ccc(C5CCCCC5)cc4)c(C)cn3)cc2)c1.
What is the InChIKey of 2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine?
The InChIKey is FKIUMRYYYGCQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H54N2/c1-37-31-40(16-15-39-17-19-45(20-18-39)52-30-29-48(36-56-52)54(3,4)5)33-47(32-37)50-14-10-9-13-49(50)43-25-27-46(28-26-43)53-34-51(38(2)35-55-53)44-23-21-42(22-24-44)41-11-7-6-8-12-41/h9-10,13-14,17-36,41H,6-8,11-12,15-16H2,1-5H3.
What are the key properties of 2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine?
2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine has a molecular weight of 731.04 g/mol, XLogP of 14.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)phenyl]ethyl]-5-methylphenyl]phenyl]phenyl]-4-(4-cyclohexylphenyl)-5-methylpyridine is sourced from PubChem (CID 169048591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).