dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane

C42H43BO2Si — CID 135061365

IUPACdimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane
SMILESCC1(C)OB(/C(=C(C(=C(\c2ccccc2)[Si](C)(C)c2ccccc2)\c2ccccc2)/c2ccccc2)c2ccccc2)OC1(C)C
InChIInChI=1S/C42H43BO2Si/c1-41(2)42(3,4)45-43(44-41)39(34-26-16-9-17-27-34)37(32-22-12-7-13-23-32)38(33-24-14-8-15-25-33)40(35-28-18-10-19-29-35)46(5,6)36-30-20-11-21-31-36/h7-31H,1-6H3/b39-37-,40-38-
InChIKeyZNUZIDBZGIKAES-YKSAKOAQSA-N
MW618.70 g/mol
LogP9.99
Rot. Bonds8

About dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane

dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane (PubChem CID 135061365) has the molecular formula C42H43BO2Si and a molecular weight of 618.70 g/mol. Its IUPAC name is dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane
PubChem CID135061365
Molecular FormulaC42H43BO2Si
Molecular Weight618.70 g/mol
Exact Mass618.31
IUPAC Namedimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane
SMILESCC1(C)OB(/C(=C(C(=C(\c2ccccc2)[Si](C)(C)c2ccccc2)\c2ccccc2)/c2ccccc2)c2ccccc2)OC1(C)C
InChIInChI=1S/C42H43BO2Si/c1-41(2)42(3,4)45-43(44-41)39(34-26-16-9-17-27-34)37(32-22-12-7-13-23-32)38(33-24-14-8-15-25-33)40(35-28-18-10-19-29-35)46(5,6)36-30-20-11-21-31-36/h7-31H,1-6H3/b39-37-,40-38-
InChIKeyZNUZIDBZGIKAES-YKSAKOAQSA-N
XLogP9.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane?
The IUPAC name of dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane (CID 135061365) is dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane.
What is the SMILES notation for dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane?
The canonical SMILES for dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane is CC1(C)OB(/C(=C(C(=C(\c2ccccc2)[Si](C)(C)c2ccccc2)\c2ccccc2)/c2ccccc2)c2ccccc2)OC1(C)C.
What is the InChIKey of dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane?
The InChIKey is ZNUZIDBZGIKAES-YKSAKOAQSA-N. The full InChI is InChI=1S/C42H43BO2Si/c1-41(2)42(3,4)45-43(44-41)39(34-26-16-9-17-27-34)37(32-22-12-7-13-23-32)38(33-24-14-8-15-25-33)40(35-28-18-10-19-29-35)46(5,6)36-30-20-11-21-31-36/h7-31H,1-6H3/b39-37-,40-38-.
What are the key properties of dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane?
dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane has a molecular weight of 618.70 g/mol, XLogP of 9.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane is sourced from PubChem (CID 135061365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).