[4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane

C41H34Si — CID 123788306

IUPAC[4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane
SMILESC[SiH2]c1ccc(C(=Cc2ccc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C41H34Si/c1-42-39-27-25-38(26-28-39)41(37-15-9-4-10-16-37)30-32-19-23-34(24-20-32)33-21-17-31(18-22-33)29-40(35-11-5-2-6-12-35)36-13-7-3-8-14-36/h2-30H,42H2,1H3
InChIKeySVJWMDUXUZLNBJ-UHFFFAOYSA-N
MW554.81 g/mol
LogP9.37
Rot. Bonds8

About [4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane

[4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane (PubChem CID 123788306) has the molecular formula C41H34Si and a molecular weight of 554.81 g/mol. Its IUPAC name is [4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane.

Molecular Properties

Compound Name[4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane
PubChem CID123788306
Molecular FormulaC41H34Si
Molecular Weight554.81 g/mol
Exact Mass554.24
IUPAC Name[4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane
SMILESC[SiH2]c1ccc(C(=Cc2ccc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C41H34Si/c1-42-39-27-25-38(26-28-39)41(37-15-9-4-10-16-37)30-32-19-23-34(24-20-32)33-21-17-31(18-22-33)29-40(35-11-5-2-6-12-35)36-13-7-3-8-14-36/h2-30H,42H2,1H3
InChIKeySVJWMDUXUZLNBJ-UHFFFAOYSA-N
XLogP9.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.81
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane?
The IUPAC name of [4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane (CID 123788306) is [4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane.
What is the SMILES notation for [4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane?
The canonical SMILES for [4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane is C[SiH2]c1ccc(C(=Cc2ccc(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of [4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane?
The InChIKey is SVJWMDUXUZLNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34Si/c1-42-39-27-25-38(26-28-39)41(37-15-9-4-10-16-37)30-32-19-23-34(24-20-32)33-21-17-31(18-22-33)29-40(35-11-5-2-6-12-35)36-13-7-3-8-14-36/h2-30H,42H2,1H3.
What are the key properties of [4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane?
[4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane has a molecular weight of 554.81 g/mol, XLogP of 9.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-phenylethenyl]phenyl]-methylsilane is sourced from PubChem (CID 123788306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).