(4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane

C28H26Si — CID 23550529

IUPAC(4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane
SMILESC/C=C/c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H26Si/c1-3-10-24-17-21-28(22-18-24)29(25-11-6-4-7-12-25,26-13-8-5-9-14-26)27-19-15-23(2)16-20-27/h3-22H,1-2H3/b10-3+
InChIKeyBSDWFKNPVLIJOA-XCVCLJGOSA-N
MW390.60 g/mol
LogP4.41
Rot. Bonds5

About (4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane

(4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane (PubChem CID 23550529) has the molecular formula C28H26Si and a molecular weight of 390.60 g/mol. Its IUPAC name is (4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane.

Molecular Properties

Compound Name(4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane
PubChem CID23550529
Molecular FormulaC28H26Si
Molecular Weight390.60 g/mol
Exact Mass390.18
IUPAC Name(4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane
SMILESC/C=C/c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H26Si/c1-3-10-24-17-21-28(22-18-24)29(25-11-6-4-7-12-25,26-13-8-5-9-14-26)27-19-15-23(2)16-20-27/h3-22H,1-2H3/b10-3+
InChIKeyBSDWFKNPVLIJOA-XCVCLJGOSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane?
The IUPAC name of (4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane (CID 23550529) is (4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane.
What is the SMILES notation for (4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane?
The canonical SMILES for (4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane is C/C=C/c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane?
The InChIKey is BSDWFKNPVLIJOA-XCVCLJGOSA-N. The full InChI is InChI=1S/C28H26Si/c1-3-10-24-17-21-28(22-18-24)29(25-11-6-4-7-12-25,26-13-8-5-9-14-26)27-19-15-23(2)16-20-27/h3-22H,1-2H3/b10-3+.
What are the key properties of (4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane?
(4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane has a molecular weight of 390.60 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-diphenyl-[4-[(E)-prop-1-enyl]phenyl]silane is sourced from PubChem (CID 23550529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).