chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane

C28H25ClSi — CID 57294185

IUPACchloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane
SMILESCC1=CC2=C(C=CC=CC2c2cccc3ccccc23)C1[Si](C)(Cl)c1ccccc1
InChIInChI=1S/C28H25ClSi/c1-20-19-27-25(24-18-10-12-21-11-6-7-15-23(21)24)16-8-9-17-26(27)28(20)30(2,29)22-13-4-3-5-14-22/h3-19,25,28H,1-2H3
InChIKeyXYQLESRDHRGWEE-UHFFFAOYSA-N
MW425.05 g/mol
LogP7.40
Rot. Bonds3

About chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane

chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane (PubChem CID 57294185) has the molecular formula C28H25ClSi and a molecular weight of 425.05 g/mol. Its IUPAC name is chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane.

Molecular Properties

Compound Namechloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane
PubChem CID57294185
Molecular FormulaC28H25ClSi
Molecular Weight425.05 g/mol
Exact Mass424.14
IUPAC Namechloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane
SMILESCC1=CC2=C(C=CC=CC2c2cccc3ccccc23)C1[Si](C)(Cl)c1ccccc1
InChIInChI=1S/C28H25ClSi/c1-20-19-27-25(24-18-10-12-21-11-6-7-15-23(21)24)16-8-9-17-26(27)28(20)30(2,29)22-13-4-3-5-14-22/h3-19,25,28H,1-2H3
InChIKeyXYQLESRDHRGWEE-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.05
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-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

Retene
CID 10222
1,5-Diisopropylnaphthalene
CID 117971
Jwh-176
CID 53249197
1-Phenylnaphthalene
CID 11795
1-Benzylnaphthalene
CID 38074
Silane, trimethyl-1-naphthalenyl-
CID 140329
1,4,5,8-Tetramethylanthracene
CID 5147927
Naphthalene, 1,2,3,4-tetrahydro-5-(1-phenylethyl)-
CID 108461
1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene
CID 140685644
1-Styrylnaphthalene
CID 1549709
1-Cyclohexylnaphthalene
CID 76440
Phenanthrene, 9-ethyl-10-methyl-
CID 177802

Frequently Asked Questions

What is the IUPAC name of chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane?
The IUPAC name of chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane (CID 57294185) is chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane.
What is the SMILES notation for chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane?
The canonical SMILES for chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane is CC1=CC2=C(C=CC=CC2c2cccc3ccccc23)C1[Si](C)(Cl)c1ccccc1.
What is the InChIKey of chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane?
The InChIKey is XYQLESRDHRGWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClSi/c1-20-19-27-25(24-18-10-12-21-11-6-7-15-23(21)24)16-8-9-17-26(27)28(20)30(2,29)22-13-4-3-5-14-22/h3-19,25,28H,1-2H3.
What are the key properties of chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane?
chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane has a molecular weight of 425.05 g/mol, XLogP of 7.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane is sourced from PubChem (CID 57294185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).