5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine

C27H27NO — CID 145465049

IUPAC5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine
SMILESC=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(C)cc3)cc2)c(OC)c1C(=C)C
InChIInChI=1S/C27H27NO/c1-7-9-24-23(8-2)25(18(3)4)27(29-6)26(28-24)22-16-14-21(15-17-22)20-12-10-19(5)11-13-20/h7-17H,2-3H2,1,4-6H3/b9-7-
InChIKeyGYRPKQZIXXQPGE-CLFYSBASSA-N
MW381.52 g/mol
LogP7.44
Rot. Bonds6

About 5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine

5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine (PubChem CID 145465049) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is 5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine
PubChem CID145465049
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine
SMILESC=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(C)cc3)cc2)c(OC)c1C(=C)C
InChIInChI=1S/C27H27NO/c1-7-9-24-23(8-2)25(18(3)4)27(29-6)26(28-24)22-16-14-21(15-17-22)20-12-10-19(5)11-13-20/h7-17H,2-3H2,1,4-6H3/b9-7-
InChIKeyGYRPKQZIXXQPGE-CLFYSBASSA-N
XLogP7.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[4-(4-chlorophenyl)phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
CID 145464994
1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
CID 145464889
1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;ethane;prop-1-en-2-ol
CID 145464888
1-[5-ethenyl-2-[4-[4-(2-fluoropropan-2-yl)phenyl]phenyl]-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
CID 145464820
1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
CID 145464930
ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol
CID 145465169
1-[3-ethyl-5-methyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol;propan-2-one
CID 145465535
ethane;1-[3-ethenyl-6-[4-(4-methylphenyl)phenyl]-2-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol;propan-1-ol
CID 145464947
5-[4-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]isoquinoline
CID 146549976
4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline
CID 145464866
2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one
CID 144937739
(NE)-N-ethylidenehydroxylamine;N-hydroxy-3-methoxy-2-[4-(4-methylphenyl)phenyl]-1,6-naphthyridine-4-carboxamide
CID 145465274

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine?
The IUPAC name of 5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine (CID 145465049) is 5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine.
What is the SMILES notation for 5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine?
The canonical SMILES for 5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine is C=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(C)cc3)cc2)c(OC)c1C(=C)C.
What is the InChIKey of 5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine?
The InChIKey is GYRPKQZIXXQPGE-CLFYSBASSA-N. The full InChI is InChI=1S/C27H27NO/c1-7-9-24-23(8-2)25(18(3)4)27(29-6)26(28-24)22-16-14-21(15-17-22)20-12-10-19(5)11-13-20/h7-17H,2-3H2,1,4-6H3/b9-7-.
What are the key properties of 5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine?
5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine has a molecular weight of 381.52 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine is sourced from PubChem (CID 145465049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).