3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde

C35H38OSi — CID 134959963

IUPAC3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde
SMILESCc1cccc(C=O)c1-c1c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C35H38OSi/c1-24(2)37(25(3)4,26(5)6)21-20-29-22-33(28-15-9-8-10-16-28)31-18-11-12-19-32(31)35(29)34-27(7)14-13-17-30(34)23-36/h8-19,22-26H,1-7H3
InChIKeyIFVNPFMNDDOOAU-UHFFFAOYSA-N
MW502.77 g/mol
LogP9.86
Rot. Bonds6

About 3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde

3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde (PubChem CID 134959963) has the molecular formula C35H38OSi and a molecular weight of 502.77 g/mol. Its IUPAC name is 3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde.

Molecular Properties

Compound Name3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde
PubChem CID134959963
Molecular FormulaC35H38OSi
Molecular Weight502.77 g/mol
Exact Mass502.27
IUPAC Name3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde
SMILESCc1cccc(C=O)c1-c1c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C35H38OSi/c1-24(2)37(25(3)4,26(5)6)21-20-29-22-33(28-15-9-8-10-16-28)31-18-11-12-19-32(31)35(29)34-27(7)14-13-17-30(34)23-36/h8-19,22-26H,1-7H3
InChIKeyIFVNPFMNDDOOAU-UHFFFAOYSA-N
XLogP9.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.77
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde 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 3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde?
The IUPAC name of 3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde (CID 134959963) is 3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde.
What is the SMILES notation for 3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde?
The canonical SMILES for 3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde is Cc1cccc(C=O)c1-c1c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(-c2ccccc2)c2ccccc12.
What is the InChIKey of 3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde?
The InChIKey is IFVNPFMNDDOOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38OSi/c1-24(2)37(25(3)4,26(5)6)21-20-29-22-33(28-15-9-8-10-16-28)31-18-11-12-19-32(31)35(29)34-27(7)14-13-17-30(34)23-36/h8-19,22-26H,1-7H3.
What are the key properties of 3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde?
3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde has a molecular weight of 502.77 g/mol, XLogP of 9.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-phenyl-2-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]benzaldehyde is sourced from PubChem (CID 134959963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).