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'}

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Related Compounds

2,5-bis[9,10-bis[2-tri(propan-2-yl)silylethynyl]anthracen-2-yl]terephthalaldehyde
CID 138984209
tri(propan-2-yl)-[2-[5-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]ethynyl]silane
CID 169050439
2-[13-(4-naphthalen-1-ylphenyl)pentacen-6-yl]ethynyl-tri(propan-2-yl)silane
CID 102336484
2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde
CID 132539599
9,18-bis[2-tri(propan-2-yl)silylethynyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene-12,22-dione
CID 102442250
ethyl 2-methyl-6-phenyl-4-[2-tri(propan-2-yl)silylethynyl]pyridine-3-carboxylate
CID 134950158
2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde
CID 175847357
4-phenylnaphthalene-1-carbaldehyde
CID 15050889
3,4,8-trimethylazulene-1-carbaldehyde
CID 23256998
9-oxo-1,3-bis[2-tri(propan-2-yl)silylethynyl]fluorene-2-carboxylic acid
CID 134961047
tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane
CID 101376385
3,4,5-trimethoxy-2-[6-[2-tri(propan-2-yl)silylethynyl]-1,3-benzodioxol-5-yl]benzaldehyde
CID 162404063

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).