1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone

C29H29NO2 — CID 145464889

IUPAC1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
SMILESC=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(/C(C)=C/C)cc3)cc2)c(OC)c1C(C)=O
InChIInChI=1S/C29H29NO2/c1-7-10-26-25(9-3)27(20(5)31)29(32-6)28(30-26)24-17-15-23(16-18-24)22-13-11-21(12-14-22)19(4)8-2/h7-18H,3H2,1-2,4-6H3/b10-7-,19-8+
InChIKeyVHDGRUUTRWGEKQ-WAFFNZKFSA-N
MW423.56 g/mol
LogP7.73
Rot. Bonds7

About 1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone

1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone (PubChem CID 145464889) has the molecular formula C29H29NO2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
PubChem CID145464889
Molecular FormulaC29H29NO2
Molecular Weight423.56 g/mol
Exact Mass423.22
IUPAC Name1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
SMILESC=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(/C(C)=C/C)cc3)cc2)c(OC)c1C(C)=O
InChIInChI=1S/C29H29NO2/c1-7-10-26-25(9-3)27(20(5)31)29(32-6)28(30-26)24-17-15-23(16-18-24)22-13-11-21(12-14-22)19(4)8-2/h7-18H,3H2,1-2,4-6H3/b10-7-,19-8+
InChIKeyVHDGRUUTRWGEKQ-WAFFNZKFSA-N
XLogP7.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[2-[4-(4-chlorophenyl)phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
CID 145464994
1-[5-ethenyl-2-[4-[4-(2-fluoropropan-2-yl)phenyl]phenyl]-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
CID 145464820
5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine
CID 145465049
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
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
ethane;1-[3-ethenyl-6-[4-(4-methylphenyl)phenyl]-2-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol;propan-1-ol
CID 145464947
1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone
CID 143306088
ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone
CID 143641192
3-ethenyl-N-hydroxy-6-[4-[(2Z,4E)-7-methylocta-2,4,6-trien-4-yl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide
CID 145465283

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone?
The IUPAC name of 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) is 1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone is C=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(/C(C)=C/C)cc3)cc2)c(OC)c1C(C)=O.
What is the InChIKey of 1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone?
The InChIKey is VHDGRUUTRWGEKQ-WAFFNZKFSA-N. The full InChI is InChI=1S/C29H29NO2/c1-7-10-26-25(9-3)27(20(5)31)29(32-6)28(30-26)24-17-15-23(16-18-24)22-13-11-21(12-14-22)19(4)8-2/h7-18H,3H2,1-2,4-6H3/b10-7-,19-8+.
What are the key properties of 1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone?
1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone has a molecular weight of 423.56 g/mol, XLogP of 7.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone is sourced from PubChem (CID 145464889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).