(1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene

C23H19Br — CID 144681165

IUPAC(1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene
SMILESC=Cc1c(C)c(=C)/c(=C\C(=C)c2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C23H19Br/c1-5-20-16(3)17(4)23(22-9-7-6-8-21(20)22)14-15(2)18-10-12-19(24)13-11-18/h5-14H,1-2,4H2,3H3/b23-14+
InChIKeyLGMFEAIXHDEHCP-OEAKJJBVSA-N
MW375.31 g/mol
LogP5.46
Rot. Bonds3

About (1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene

(1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene (PubChem CID 144681165) has the molecular formula C23H19Br and a molecular weight of 375.31 g/mol. Its IUPAC name is (1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene.

Molecular Properties

Compound Name(1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene
PubChem CID144681165
Molecular FormulaC23H19Br
Molecular Weight375.31 g/mol
Exact Mass374.07
IUPAC Name(1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene
SMILESC=Cc1c(C)c(=C)/c(=C\C(=C)c2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C23H19Br/c1-5-20-16(3)17(4)23(22-9-7-6-8-21(20)22)14-15(2)18-10-12-19(24)13-11-18/h5-14H,1-2,4H2,3H3/b23-14+
InChIKeyLGMFEAIXHDEHCP-OEAKJJBVSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.31
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene?
The IUPAC name of (1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene (CID 144681165) is (1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene.
What is the SMILES notation for (1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene?
The canonical SMILES for (1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene is C=Cc1c(C)c(=C)/c(=C\C(=C)c2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of (1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene?
The InChIKey is LGMFEAIXHDEHCP-OEAKJJBVSA-N. The full InChI is InChI=1S/C23H19Br/c1-5-20-16(3)17(4)23(22-9-7-6-8-21(20)22)14-15(2)18-10-12-19(24)13-11-18/h5-14H,1-2,4H2,3H3/b23-14+.
What are the key properties of (1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene?
(1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene has a molecular weight of 375.31 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[2-(4-bromophenyl)prop-2-enylidene]-4-ethenyl-3-methyl-2-methylidenenaphthalene is sourced from PubChem (CID 144681165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).