(1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene

C23H18 — CID 138967575

IUPAC(1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene
SMILESCc1ccccc1/C=C1\C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H18/c1-17-9-5-6-12-19(17)15-20-16-23(18-10-3-2-4-11-18)22-14-8-7-13-21(20)22/h2-16H,1H3/b20-15+
InChIKeyQFICLKCNTNDUEQ-HMMYKYKNSA-N
MW294.40 g/mol
LogP5.98
Rot. Bonds2

About (1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene

(1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene (PubChem CID 138967575) has the molecular formula C23H18 and a molecular weight of 294.40 g/mol. Its IUPAC name is (1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene.

Molecular Properties

Compound Name(1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene
PubChem CID138967575
Molecular FormulaC23H18
Molecular Weight294.40 g/mol
Exact Mass294.14
IUPAC Name(1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene
SMILESCc1ccccc1/C=C1\C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H18/c1-17-9-5-6-12-19(17)15-20-16-23(18-10-3-2-4-11-18)22-14-8-7-13-21(20)22/h2-16H,1H3/b20-15+
InChIKeyQFICLKCNTNDUEQ-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-[(4-methylphenyl)methylidene]-3-phenylindene
CID 138968051
(3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene
CID 11315014
9,10-bis[(2-methylphenyl)methylidene]anthracene
CID 10738810
2-[(2-methylphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59769953
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine
CID 2197917
1-methyl-2-phenylbenzene;prop-1-ene
CID 144960650
1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene
CID 162730424
(1Z)-1-(2,2-dimethyl-1-phenylpropylidene)-3-phenylindene
CID 5378956
5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 175143349

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene?
The IUPAC name of (1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene (CID 138967575) is (1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene.
What is the SMILES notation for (1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene?
The canonical SMILES for (1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene is Cc1ccccc1/C=C1\C=C(c2ccccc2)c2ccccc21.
What is the InChIKey of (1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene?
The InChIKey is QFICLKCNTNDUEQ-HMMYKYKNSA-N. The full InChI is InChI=1S/C23H18/c1-17-9-5-6-12-19(17)15-20-16-23(18-10-3-2-4-11-18)22-14-8-7-13-21(20)22/h2-16H,1H3/b20-15+.
What are the key properties of (1E)-1-[(2-methylphenyl)methylidene]-3-phenylindene?
(1E)-1-[(2-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-[(2-methylphenyl)methylidene]-3-phenylindene is sourced from PubChem (CID 138967575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).