(4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane

C25H20Si — CID 101072929

IUPAC(4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane
SMILESC#Cc1ccc([Si](C)(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C25H20Si/c1-3-20-16-18-23(19-17-20)26(2,22-12-5-4-6-13-22)25-15-9-11-21-10-7-8-14-24(21)25/h1,4-19H,2H3
InChIKeyBRKMCCZDUDXCGW-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.92
Rot. Bonds3

About (4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane

(4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane (PubChem CID 101072929) has the molecular formula C25H20Si and a molecular weight of 348.52 g/mol. Its IUPAC name is (4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane.

Molecular Properties

Compound Name(4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane
PubChem CID101072929
Molecular FormulaC25H20Si
Molecular Weight348.52 g/mol
Exact Mass348.13
IUPAC Name(4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane
SMILESC#Cc1ccc([Si](C)(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C25H20Si/c1-3-20-16-18-23(19-17-20)26(2,22-12-5-4-6-13-22)25-15-9-11-21-10-7-8-14-24(21)25/h1,4-19H,2H3
InChIKeyBRKMCCZDUDXCGW-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.92
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane with MolForge

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

Launch Full Analysis

Related Compounds

bis[2-(hydroxy-naphthalen-1-yl-phenylsilyl)ethyl]-dimethylsilane
CID 102005003
(4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane
CID 13056160
chloro-methyl-dinaphthalen-1-ylsilane
CID 140861802
methyl-[(2-methylpropan-2-yl)oxy]-naphthalen-1-yl-phenylsilane
CID 10990843
methyl-naphthalen-1-yl-phenyl-prop-2-enylsilane
CID 12598487
trimethyl-[[4-[methyl(diphenyl)silyl]phenyl]methyl]silane
CID 139831823
(1,2-13C2)ethynylbenzene
CID 71309164
(1R)-N-(methyl-naphthalen-1-yl-phenylsilyl)-1-phenyl-N-[(1R)-1-phenylethyl]ethanamine
CID 100943831
dimethyl-[methyl-[2-[[methyl(diphenyl)silyl]methyl]phenyl]-naphthalen-1-ylsilyl]-phenylsilane
CID 12030742
cobalt;ethynylbenzene
CID 174831642
ethynylbenzene fluoride
CID 139243604
ethynylbenzene;stibane
CID 175292724

Frequently Asked Questions

What is the IUPAC name of (4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane?
The IUPAC name of (4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane (CID 101072929) is (4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane.
What is the SMILES notation for (4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane?
The canonical SMILES for (4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane is C#Cc1ccc([Si](C)(c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of (4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane?
The InChIKey is BRKMCCZDUDXCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Si/c1-3-20-16-18-23(19-17-20)26(2,22-12-5-4-6-13-22)25-15-9-11-21-10-7-8-14-24(21)25/h1,4-19H,2H3.
What are the key properties of (4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane?
(4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane has a molecular weight of 348.52 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethynylphenyl)-methyl-naphthalen-1-yl-phenylsilane is sourced from PubChem (CID 101072929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).