bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane

C40H30Cl2Si — CID 140986794

IUPACbis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane
SMILESC[Si](C)(C1=C(c2ccccc2)C(Cl)c2c1ccc1ccccc21)C1=C(c2ccccc2)C(Cl)c2c1ccc1ccccc21
InChIInChI=1S/C40H30Cl2Si/c1-43(2,39-31-23-21-25-13-9-11-19-29(25)35(31)37(41)33(39)27-15-5-3-6-16-27)40-32-24-22-26-14-10-12-20-30(26)36(32)38(42)34(40)28-17-7-4-8-18-28/h3-24,37-38H,1-2H3
InChIKeyLSLKVHUNLFSKGH-UHFFFAOYSA-N
MW609.67 g/mol
LogP11.89
Rot. Bonds4

About bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane

bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane (PubChem CID 140986794) has the molecular formula C40H30Cl2Si and a molecular weight of 609.67 g/mol. Its IUPAC name is bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane
PubChem CID140986794
Molecular FormulaC40H30Cl2Si
Molecular Weight609.67 g/mol
Exact Mass608.15
IUPAC Namebis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane
SMILESC[Si](C)(C1=C(c2ccccc2)C(Cl)c2c1ccc1ccccc21)C1=C(c2ccccc2)C(Cl)c2c1ccc1ccccc21
InChIInChI=1S/C40H30Cl2Si/c1-43(2,39-31-23-21-25-13-9-11-19-29(25)35(31)37(41)33(39)27-15-5-3-6-16-27)40-32-24-22-26-14-10-12-20-30(26)36(32)38(42)34(40)28-17-7-4-8-18-28/h3-24,37-38H,1-2H3
InChIKeyLSLKVHUNLFSKGH-UHFFFAOYSA-N
XLogP11.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.67
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1H-cyclopropa[a]naphthalene
CID 67741182
1,2-diphenylnaphthalene
CID 11208267
bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane
CID 141006639
2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 155105161
bis(3-chloro-2-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane
CID 141006637
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
3-ethyl-1-methyl-1H-cyclopenta[a]naphthalene
CID 141344332
1-bromo-2-phenylnaphthalene
CID 10956972
dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane
CID 123472520
5,12-bis(1-phenylnaphthalen-2-yl)tetracene
CID 123352239
2-(10-phenylanthracen-9-yl)benzo[h]quinoline
CID 59629573

Frequently Asked Questions

What is the IUPAC name of bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane?
The IUPAC name of bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane (CID 140986794) is bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane.
What is the SMILES notation for bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane?
The canonical SMILES for bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane is C[Si](C)(C1=C(c2ccccc2)C(Cl)c2c1ccc1ccccc21)C1=C(c2ccccc2)C(Cl)c2c1ccc1ccccc21.
What is the InChIKey of bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane?
The InChIKey is LSLKVHUNLFSKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30Cl2Si/c1-43(2,39-31-23-21-25-13-9-11-19-29(25)35(31)37(41)33(39)27-15-5-3-6-16-27)40-32-24-22-26-14-10-12-20-30(26)36(32)38(42)34(40)28-17-7-4-8-18-28/h3-24,37-38H,1-2H3.
What are the key properties of bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane?
bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane has a molecular weight of 609.67 g/mol, XLogP of 11.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane is sourced from PubChem (CID 140986794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).