4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine

C37H31NO — CID 3768756

IUPAC4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine
SMILESCOc1ccc(N2C(c3ccccc3)=CC(Cc3ccccc3)(c3ccccc3)C=C2c2ccccc2)cc1
InChIInChI=1S/C37H31NO/c1-39-34-24-22-33(23-25-34)38-35(30-16-8-3-9-17-30)27-37(32-20-12-5-13-21-32,26-29-14-6-2-7-15-29)28-36(38)31-18-10-4-11-19-31/h2-25,27-28H,26H2,1H3
InChIKeyMITCBCKPKLURIY-UHFFFAOYSA-N
MW505.66 g/mol
LogP8.78
Rot. Bonds7

About 4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine

4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine (PubChem CID 3768756) has the molecular formula C37H31NO and a molecular weight of 505.66 g/mol. Its IUPAC name is 4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine.

Molecular Properties

Compound Name4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine
PubChem CID3768756
Molecular FormulaC37H31NO
Molecular Weight505.66 g/mol
Exact Mass505.24
IUPAC Name4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine
SMILESCOc1ccc(N2C(c3ccccc3)=CC(Cc3ccccc3)(c3ccccc3)C=C2c2ccccc2)cc1
InChIInChI=1S/C37H31NO/c1-39-34-24-22-33(23-25-34)38-35(30-16-8-3-9-17-30)27-37(32-20-12-5-13-21-32,26-29-14-6-2-7-15-29)28-36(38)31-18-10-4-11-19-31/h2-25,27-28H,26H2,1H3
InChIKeyMITCBCKPKLURIY-UHFFFAOYSA-N
XLogP8.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(4-methoxyphenyl)-5,5-diphenylimidazolidine-2,4-dione
CID 135011161
5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one
CID 135002668
1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene
CID 101114423
2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione
CID 56689373
(3E)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-5-phenylpyrrol-2-one
CID 46495790
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
(5S)-5-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 25354436
(2R,6R,8R,12R)-4,10-bis(4-methoxyphenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 124766623
4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one
CID 10741243
(2S,6S,8R,12R)-4,10-bis(4-methoxyphenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 99719412
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine?
The IUPAC name of 4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine (CID 3768756) is 4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine.
What is the SMILES notation for 4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine?
The canonical SMILES for 4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine is COc1ccc(N2C(c3ccccc3)=CC(Cc3ccccc3)(c3ccccc3)C=C2c2ccccc2)cc1.
What is the InChIKey of 4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine?
The InChIKey is MITCBCKPKLURIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31NO/c1-39-34-24-22-33(23-25-34)38-35(30-16-8-3-9-17-30)27-37(32-20-12-5-13-21-32,26-29-14-6-2-7-15-29)28-36(38)31-18-10-4-11-19-31/h2-25,27-28H,26H2,1H3.
What are the key properties of 4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine?
4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine has a molecular weight of 505.66 g/mol, XLogP of 8.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine is sourced from PubChem (CID 3768756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).