(4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene

C38H34 — CID 173417992

IUPAC(4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene
SMILESCC(C)C(=Cc1ccccc1)C(=C(c1ccccc1)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C38H34/c1-29(2)35(28-30-18-8-3-9-19-30)37(33-24-14-6-15-25-33)38(34-26-16-7-17-27-34)36(31-20-10-4-11-21-31)32-22-12-5-13-23-32/h3-29,36H,1-2H3
InChIKeyVZJPQCAMPIXLTE-UHFFFAOYSA-N
MW490.69 g/mol
LogP10.17
Rot. Bonds8

About (4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene

(4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene (PubChem CID 173417992) has the molecular formula C38H34 and a molecular weight of 490.69 g/mol. Its IUPAC name is (4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene.

Molecular Properties

Compound Name(4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene
PubChem CID173417992
Molecular FormulaC38H34
Molecular Weight490.69 g/mol
Exact Mass490.27
IUPAC Name(4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene
SMILESCC(C)C(=Cc1ccccc1)C(=C(c1ccccc1)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C38H34/c1-29(2)35(28-30-18-8-3-9-19-30)37(33-24-14-6-15-25-33)38(34-26-16-7-17-27-34)36(31-20-10-4-11-21-31)32-22-12-5-13-23-32/h3-29,36H,1-2H3
InChIKeyVZJPQCAMPIXLTE-UHFFFAOYSA-N
XLogP10.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene?
The IUPAC name of (4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene (CID 173417992) is (4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene.
What is the SMILES notation for (4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene?
The canonical SMILES for (4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene is CC(C)C(=Cc1ccccc1)C(=C(c1ccccc1)C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene?
The InChIKey is VZJPQCAMPIXLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34/c1-29(2)35(28-30-18-8-3-9-19-30)37(33-24-14-6-15-25-33)38(34-26-16-7-17-27-34)36(31-20-10-4-11-21-31)32-22-12-5-13-23-32/h3-29,36H,1-2H3.
What are the key properties of (4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene?
(4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene has a molecular weight of 490.69 g/mol, XLogP of 10.17, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylidene-5-methyl-1,1,2-triphenylhex-2-en-3-yl)benzene is sourced from PubChem (CID 173417992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).