(1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene

C23H18 — CID 138968051

IUPAC(1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene
SMILESCc1ccc(/C=C2\C=C(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C23H18/c1-17-11-13-18(14-12-17)15-20-16-23(19-7-3-2-4-8-19)22-10-6-5-9-21(20)22/h2-16H,1H3/b20-15+
InChIKeyHWBQCERORZTZTL-HMMYKYKNSA-N
MW294.40 g/mol
LogP5.98
Rot. Bonds2

About (1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene

(1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene (PubChem CID 138968051) has the molecular formula C23H18 and a molecular weight of 294.40 g/mol. Its IUPAC name is (1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene.

Molecular Properties

Compound Name(1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene
PubChem CID138968051
Molecular FormulaC23H18
Molecular Weight294.40 g/mol
Exact Mass294.14
IUPAC Name(1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene
SMILESCc1ccc(/C=C2\C=C(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C23H18/c1-17-11-13-18(14-12-17)15-20-16-23(19-7-3-2-4-8-19)22-10-6-5-9-21(20)22/h2-16H,1H3/b20-15+
InChIKeyHWBQCERORZTZTL-HMMYKYKNSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene
CID 138967575
[(3E)-3-benzylideneinden-1-yl]-trimethylsilane
CID 13210915
(3E)-3-[(4-bromophenyl)methylidene]-1-(4-methylphenyl)-5-phenylpyrrol-2-one
CID 6305373
(3Z)-1-methyl-3-[(4-methylphenyl)methylidene]indol-1-ium tetrafluoroborate
CID 139094402
1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene
CID 59935177
(5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one
CID 102259031
(3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde
CID 177419708
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
(5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one
CID 132539373
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene?
The IUPAC name of (1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene (CID 138968051) is (1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene.
What is the SMILES notation for (1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene?
The canonical SMILES for (1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene is Cc1ccc(/C=C2\C=C(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of (1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene?
The InChIKey is HWBQCERORZTZTL-HMMYKYKNSA-N. The full InChI is InChI=1S/C23H18/c1-17-11-13-18(14-12-17)15-20-16-23(19-7-3-2-4-8-19)22-10-6-5-9-21(20)22/h2-16H,1H3/b20-15+.
What are the key properties of (1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene?
(1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene has a molecular weight of 294.40 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene is sourced from PubChem (CID 138968051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).