2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine

C52H50N2 — CID 169048659

IUPAC2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine
SMILESCc1cc(CCc2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3cc(-c4ccc(C5(C)CCC(C)(C)CC5)cc4)ccn3)cc2)c1
InChIInChI=1S/C52H50N2/c1-37-33-39(13-12-38-14-16-42(17-15-38)49-11-7-8-31-53-49)35-45(34-37)48-10-6-5-9-47(48)41-18-20-43(21-19-41)50-36-44(26-32-54-50)40-22-24-46(25-23-40)52(4)29-27-51(2,3)28-30-52/h5-11,14-26,31-36H,12-13,27-30H2,1-4H3
InChIKeyBMYYLOQDFNCEPE-UHFFFAOYSA-N
MW702.99 g/mol
LogP13.76
Rot. Bonds9

About 2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine

2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine (PubChem CID 169048659) has the molecular formula C52H50N2 and a molecular weight of 702.99 g/mol. Its IUPAC name is 2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine
PubChem CID169048659
Molecular FormulaC52H50N2
Molecular Weight702.99 g/mol
Exact Mass702.40
IUPAC Name2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine
SMILESCc1cc(CCc2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3cc(-c4ccc(C5(C)CCC(C)(C)CC5)cc4)ccn3)cc2)c1
InChIInChI=1S/C52H50N2/c1-37-33-39(13-12-38-14-16-42(17-15-38)49-11-7-8-31-53-49)35-45(34-37)48-10-6-5-9-47(48)41-18-20-43(21-19-41)50-36-44(26-32-54-50)40-22-24-46(25-23-40)52(4)29-27-51(2,3)28-30-52/h5-11,14-26,31-36H,12-13,27-30H2,1-4H3
InChIKeyBMYYLOQDFNCEPE-UHFFFAOYSA-N
XLogP13.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.99
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane
CID 165148525
2-[4-[2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine
CID 169048450
iridium;2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]benzene-6-id-1-yl]-4-[4-(1,3,5-trimethylcyclohexyl)phenyl]pyridine
CID 169048465
4-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-[4-[2-[3-methyl-5-[1,1,2,2-tetradeuterio-2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine
CID 169048458
iridium;4-[4-(1-methylcyclohexyl)phenyl]-2-[4-[2-[3-methyl-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]ethyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 169048554
2-[4-[2-[3-[2-[4-[4-[4-(1-deuteriocyclopentyl)phenyl]-2-pyridinyl]phenyl]phenyl]-5-methylphenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 169048594
4-[2,6-dimethyl-4-(1-methylcyclohexyl)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 169048518
2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148975
5-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]benzene-1,3-dicarbonitrile
CID 165148385
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
2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165149093
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine?
The IUPAC name of 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) is 2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine is Cc1cc(CCc2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3cc(-c4ccc(C5(C)CCC(C)(C)CC5)cc4)ccn3)cc2)c1.
What is the InChIKey of 2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine?
The InChIKey is BMYYLOQDFNCEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50N2/c1-37-33-39(13-12-38-14-16-42(17-15-38)49-11-7-8-31-53-49)35-45(34-37)48-10-6-5-9-47(48)41-18-20-43(21-19-41)50-36-44(26-32-54-50)40-22-24-46(25-23-40)52(4)29-27-51(2,3)28-30-52/h5-11,14-26,31-36H,12-13,27-30H2,1-4H3.
What are the key properties of 2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine?
2-[4-[2-[3-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine has a molecular weight of 702.99 g/mol, XLogP of 13.76, 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-methyl-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-[4-(1,4,4-trimethylcyclohexyl)phenyl]pyridine is sourced from PubChem (CID 169048659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).