bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane

C37H32Cl2Si — CID 141006637

IUPACbis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane
SMILESCCC1=C(Cl)c2ccc3ccccc3c2C1[Si](C)(c1ccccc1)C1C(CC)=C(Cl)c2ccc3ccccc3c21
InChIInChI=1S/C37H32Cl2Si/c1-4-26-34(38)30-21-19-23-13-9-11-17-28(23)32(30)36(26)40(3,25-15-7-6-8-16-25)37-27(5-2)35(39)31-22-20-24-14-10-12-18-29(24)33(31)37/h6-22,36-37H,4-5H2,1-3H3
InChIKeyCJQNIFCBVHCTLU-UHFFFAOYSA-N
MW575.66 g/mol
LogP10.67
Rot. Bonds5

About bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane

bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane (PubChem CID 141006637) has the molecular formula C37H32Cl2Si and a molecular weight of 575.66 g/mol. Its IUPAC name is bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane.

Molecular Properties

Compound Namebis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane
PubChem CID141006637
Molecular FormulaC37H32Cl2Si
Molecular Weight575.66 g/mol
Exact Mass574.17
IUPAC Namebis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane
SMILESCCC1=C(Cl)c2ccc3ccccc3c2C1[Si](C)(c1ccccc1)C1C(CC)=C(Cl)c2ccc3ccccc3c21
InChIInChI=1S/C37H32Cl2Si/c1-4-26-34(38)30-21-19-23-13-9-11-17-28(23)32(30)36(26)40(3,25-15-7-6-8-16-25)37-27(5-2)35(39)31-22-20-24-14-10-12-18-29(24)33(31)37/h6-22,36-37H,4-5H2,1-3H3
InChIKeyCJQNIFCBVHCTLU-UHFFFAOYSA-N
XLogP10.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.66
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane
CID 141006639
bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane
CID 140986794
3-ethyl-1-methyl-1H-cyclopenta[a]naphthalene
CID 141344332
chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane
CID 57186607
1-chloro-1H-cyclopropa[a]naphthalene
CID 67741182
12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 633780
(2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-(2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane
CID 91228221
5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 176969039
sodium 1-methoxynaphthalen-2-olate
CID 139799062
bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane
CID 141041116
(1-methoxynaphthalen-2-yl)-trimethylsilane
CID 15173794
1,2-diphenylnaphthalene
CID 11208267

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane?
The IUPAC name of bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane (CID 141006637) is bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane.
What is the SMILES notation for bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane?
The canonical SMILES for bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane is CCC1=C(Cl)c2ccc3ccccc3c2C1[Si](C)(c1ccccc1)C1C(CC)=C(Cl)c2ccc3ccccc3c21.
What is the InChIKey of bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane?
The InChIKey is CJQNIFCBVHCTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32Cl2Si/c1-4-26-34(38)30-21-19-23-13-9-11-17-28(23)32(30)36(26)40(3,25-15-7-6-8-16-25)37-27(5-2)35(39)31-22-20-24-14-10-12-18-29(24)33(31)37/h6-22,36-37H,4-5H2,1-3H3.
What are the key properties of bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane?
bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane has a molecular weight of 575.66 g/mol, XLogP of 10.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane is sourced from PubChem (CID 141006637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).