2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine

C51H61NO2 — CID 72604608

IUPAC2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine
SMILESCCCCC(CC)COc1cccc(C=Cc2cc(-c3ccc(-c4ccc(C)cc4)cc3)c(C=Cc3cccc(OCC(CC)CCCC)c3)nc2C)c1
InChIInChI=1S/C51H61NO2/c1-7-11-15-40(9-3)36-53-48-19-13-17-42(33-48)23-27-47-35-50(46-30-28-45(29-31-46)44-25-21-38(5)22-26-44)51(52-39(47)6)32-24-43-18-14-20-49(34-43)54-37-41(10-4)16-12-8-2/h13-14,17-35,40-41H,7-12,15-16,36-37H2,1-6H3
InChIKeyVSRVSVBJUYJSLC-UHFFFAOYSA-N
MW720.05 g/mol
LogP14.56
Rot. Bonds20

About 2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine

2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine (PubChem CID 72604608) has the molecular formula C51H61NO2 and a molecular weight of 720.05 g/mol. Its IUPAC name is 2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine
PubChem CID72604608
Molecular FormulaC51H61NO2
Molecular Weight720.05 g/mol
Exact Mass719.47
IUPAC Name2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine
SMILESCCCCC(CC)COc1cccc(C=Cc2cc(-c3ccc(-c4ccc(C)cc4)cc3)c(C=Cc3cccc(OCC(CC)CCCC)c3)nc2C)c1
InChIInChI=1S/C51H61NO2/c1-7-11-15-40(9-3)36-53-48-19-13-17-42(33-48)23-27-47-35-50(46-30-28-45(29-31-46)44-25-21-38(5)22-26-44)51(52-39(47)6)32-24-43-18-14-20-49(34-43)54-37-41(10-4)16-12-8-2/h13-14,17-35,40-41H,7-12,15-16,36-37H2,1-6H3
InChIKeyVSRVSVBJUYJSLC-UHFFFAOYSA-N
XLogP14.56
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.05
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 143348020
2-[4-(2-ethylhexoxy)-2-methylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58830701
ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
CID 170619939
2-ethylhexyl 3-(3-propoxyphenyl)prop-2-enoate
CID 130331752
3,5-bis[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzaldehyde
CID 87321232
2,5-dibromo-3-[(E)-2-[4-[(E)-2-[4-(2-ethylhexoxy)phenyl]ethenyl]phenyl]ethenyl]thiophene
CID 101392914
(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
CID 55188858
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
5-[(E)-2-[2-(2-ethylhexoxy)-5-methoxy-4-[(E)-2-(5-pentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),2(9),3(8),4,6,10,12,14(18),15-nonaenyl)ethenyl]phenyl]ethenyl]pentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),2(9),3(8),4,6,10,12,14(18),15-nonaene
CID 100987707
1-[(E)-2-(4-bromophenyl)ethenyl]-5-[(2S)-2-ethylhexoxy]-2-[(2R)-2-ethylhexoxy]-4-[(E)-2-phenylethenyl]benzene
CID 135816764
5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-[4-(2-ethylhexoxy)phenyl]-1,3,5-triazin-2-yl]phenol
CID 137127599
1-ethyl-3-(2-ethylheptoxy)benzene
CID 54140659

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine?
The IUPAC name of 2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine (CID 72604608) is 2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine.
What is the SMILES notation for 2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine?
The canonical SMILES for 2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine is CCCCC(CC)COc1cccc(C=Cc2cc(-c3ccc(-c4ccc(C)cc4)cc3)c(C=Cc3cccc(OCC(CC)CCCC)c3)nc2C)c1.
What is the InChIKey of 2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine?
The InChIKey is VSRVSVBJUYJSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H61NO2/c1-7-11-15-40(9-3)36-53-48-19-13-17-42(33-48)23-27-47-35-50(46-30-28-45(29-31-46)44-25-21-38(5)22-26-44)51(52-39(47)6)32-24-43-18-14-20-49(34-43)54-37-41(10-4)16-12-8-2/h13-14,17-35,40-41H,7-12,15-16,36-37H2,1-6H3.
What are the key properties of 2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine?
2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine has a molecular weight of 720.05 g/mol, XLogP of 14.56, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-[3-(2-ethylhexoxy)phenyl]ethenyl]-6-methyl-3-[4-(4-methylphenyl)phenyl]pyridine is sourced from PubChem (CID 72604608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).