ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol

C32H43NO2 — CID 145465169

IUPACethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol
SMILESC=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(C)cc3)cc2)c(CC)c1C(C)=O.CC.CC.CO
InChIInChI=1S/C27H27NO.2C2H6.CH4O/c1-6-9-25-23(7-2)26(19(5)29)24(8-3)27(28-25)22-16-14-21(15-17-22)20-12-10-18(4)11-13-20;3*1-2/h6-7,9-17H,2,8H2,1,3-5H3;2*1-2H3;2H,1H3/b9-6-;;;
InChIKeyHFJAKMHOLJOIES-CPNIPSBZSA-N
MW473.70 g/mol
LogP8.83
Rot. Bonds6

About ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol

ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol (PubChem CID 145465169) has the molecular formula C32H43NO2 and a molecular weight of 473.70 g/mol. Its IUPAC name is ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol.

Molecular Properties

Compound Nameethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol
PubChem CID145465169
Molecular FormulaC32H43NO2
Molecular Weight473.70 g/mol
Exact Mass473.33
IUPAC Nameethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol
SMILESC=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(C)cc3)cc2)c(CC)c1C(C)=O.CC.CC.CO
InChIInChI=1S/C27H27NO.2C2H6.CH4O/c1-6-9-25-23(7-2)26(19(5)29)24(8-3)27(28-25)22-16-14-21(15-17-22)20-12-10-18(4)11-13-20;3*1-2/h6-7,9-17H,2,8H2,1,3-5H3;2*1-2H3;2H,1H3/b9-6-;;;
InChIKeyHFJAKMHOLJOIES-CPNIPSBZSA-N
XLogP8.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.70
LogP ≤ 58.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-ethyl-5-methyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol;propan-2-one
CID 145465535
1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
CID 145464930
5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine
CID 145465049
1-[2-[4-(4-chlorophenyl)phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
CID 145464994
ethane;1-[3-ethenyl-6-[4-(4-methylphenyl)phenyl]-2-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol;propan-1-ol
CID 145464947
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-3-ethyl-2-[4-[4-(2-piperazin-1-ylethyl)phenyl]phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]-N-methylethenamine
CID 143948778
3-ethyl-2-[4-(4-methanimidoylphenyl)phenyl]-N,5-dimethyl-6-[(Z)-prop-1-enyl]pyridine-4-carboxamide
CID 145464984
4-[4-[4,5-bis(ethenyl)-3-(2-phenylethyl)-6-[(Z)-prop-1-enyl]-2-pyridinyl]phenyl]-N-ethylaniline
CID 145464866
3-ethenyl-N-ethyl-6-[4-[4-[(E)-3-methylpent-3-enyl]phenyl]phenyl]-2-[(Z)-prop-1-enyl]pyridine-4-carboxamide
CID 145464910

Frequently Asked Questions

What is the IUPAC name of ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol?
The IUPAC name of ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol (CID 145465169) is ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol.
What is the SMILES notation for ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol?
The canonical SMILES for ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol is C=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(C)cc3)cc2)c(CC)c1C(C)=O.CC.CC.CO.
What is the InChIKey of ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol?
The InChIKey is HFJAKMHOLJOIES-CPNIPSBZSA-N. The full InChI is InChI=1S/C27H27NO.2C2H6.CH4O/c1-6-9-25-23(7-2)26(19(5)29)24(8-3)27(28-25)22-16-14-21(15-17-22)20-12-10-18(4)11-13-20;3*1-2/h6-7,9-17H,2,8H2,1,3-5H3;2*1-2H3;2H,1H3/b9-6-;;;.
What are the key properties of ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol?
ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol has a molecular weight of 473.70 g/mol, XLogP of 8.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[5-ethenyl-3-ethyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol is sourced from PubChem (CID 145465169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).