1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene

C37H30 — CID 59935177

IUPAC1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene
SMILESCc1ccc(C=C2c3ccccc3C(=Cc3ccc(C)cc3)C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H30/c1-27-17-21-29(22-18-27)25-35-33-15-9-10-16-34(33)36(26-30-23-19-28(2)20-24-30)37(35,31-11-5-3-6-12-31)32-13-7-4-8-14-32/h3-26H,1-2H3
InChIKeyYEFLSJHXNZHMIF-UHFFFAOYSA-N
MW474.65 g/mol
LogP9.38
Rot. Bonds4

About 1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene

1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene (PubChem CID 59935177) has the molecular formula C37H30 and a molecular weight of 474.65 g/mol. Its IUPAC name is 1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene.

Molecular Properties

Compound Name1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene
PubChem CID59935177
Molecular FormulaC37H30
Molecular Weight474.65 g/mol
Exact Mass474.23
IUPAC Name1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene
SMILESCc1ccc(C=C2c3ccccc3C(=Cc3ccc(C)cc3)C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H30/c1-27-17-21-29(22-18-27)25-35-33-15-9-10-16-34(33)36(26-30-23-19-28(2)20-24-30)37(35,31-11-5-3-6-12-31)32-13-7-4-8-14-32/h3-26H,1-2H3
InChIKeyYEFLSJHXNZHMIF-UHFFFAOYSA-N
XLogP9.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 59.38
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

(3E)-3-[(4-methylphenyl)methylidene]-1H-indole-2-thione
CID 54671621
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
1-(4-methylphenyl)-9,9-diphenylfluorene
CID 123914511
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
(1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene
CID 138968051
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione
CID 15152091
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene?
The IUPAC name of 1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene (CID 59935177) is 1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene.
What is the SMILES notation for 1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene?
The canonical SMILES for 1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene is Cc1ccc(C=C2c3ccccc3C(=Cc3ccc(C)cc3)C2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene?
The InChIKey is YEFLSJHXNZHMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30/c1-27-17-21-29(22-18-27)25-35-33-15-9-10-16-34(33)36(26-30-23-19-28(2)20-24-30)37(35,31-11-5-3-6-12-31)32-13-7-4-8-14-32/h3-26H,1-2H3.
What are the key properties of 1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene?
1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene has a molecular weight of 474.65 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-methylphenyl)methylidene]-2,2-diphenylindene is sourced from PubChem (CID 59935177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).