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

C35H28Cl2Si — CID 141006639

IUPACbis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane
SMILESCC1=C(Cl)c2ccc3ccccc3c2C1[Si](C)(c1ccccc1)C1C(C)=C(Cl)c2ccc3ccccc3c21
InChIInChI=1S/C35H28Cl2Si/c1-21-32(36)28-19-17-23-11-7-9-15-26(23)30(28)34(21)38(3,25-13-5-4-6-14-25)35-22(2)33(37)29-20-18-24-12-8-10-16-27(24)31(29)35/h4-20,34-35H,1-3H3
InChIKeyHYJPPVSFMRGYKP-UHFFFAOYSA-N
MW547.60 g/mol
LogP9.89
Rot. Bonds3

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

bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane (PubChem CID 141006639) has the molecular formula C35H28Cl2Si and a molecular weight of 547.60 g/mol. Its IUPAC name is bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane.

Molecular Properties

Compound Namebis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane
PubChem CID141006639
Molecular FormulaC35H28Cl2Si
Molecular Weight547.60 g/mol
Exact Mass546.13
IUPAC Namebis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane
SMILESCC1=C(Cl)c2ccc3ccccc3c2C1[Si](C)(c1ccccc1)C1C(C)=C(Cl)c2ccc3ccccc3c21
InChIInChI=1S/C35H28Cl2Si/c1-21-32(36)28-19-17-23-11-7-9-15-26(23)30(28)34(21)38(3,25-13-5-4-6-14-25)35-22(2)33(37)29-20-18-24-12-8-10-16-27(24)31(29)35/h4-20,34-35H,1-3H3
InChIKeyHYJPPVSFMRGYKP-UHFFFAOYSA-N
XLogP9.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.60
LogP ≤ 59.89
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-ethyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane
CID 141006637
chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane
CID 57186607
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
bis[3-chloro-4-(1,2-dihydroacenaphthylen-1-yl)-2-methyl-1H-inden-1-yl]-methyl-phenylsilane
CID 141041098
bis(1-chloro-2-phenyl-1H-cyclopenta[a]naphthalen-3-yl)-dimethylsilane
CID 140986794
1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline
CID 3130838
(1S)-1,2,2,4-tetramethyl-1H-benzo[f]isoquinoline
CID 1203686
bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane
CID 141235174
dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-yl)silane
CID 617108
chloro-methyl-(2-methyl-4-naphthalen-1-yl-1,4-dihydroazulen-1-yl)-phenylsilane
CID 57294185
1-chloro-1H-cyclopropa[a]naphthalene
CID 67741182
1-chloronaphthalene;2-methylquinoline
CID 175049880

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane?
The IUPAC name of bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane (CID 141006639) is bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane.
What is the SMILES notation for bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane?
The canonical SMILES for bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane is CC1=C(Cl)c2ccc3ccccc3c2C1[Si](C)(c1ccccc1)C1C(C)=C(Cl)c2ccc3ccccc3c21.
What is the InChIKey of bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane?
The InChIKey is HYJPPVSFMRGYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28Cl2Si/c1-21-32(36)28-19-17-23-11-7-9-15-26(23)30(28)34(21)38(3,25-13-5-4-6-14-25)35-22(2)33(37)29-20-18-24-12-8-10-16-27(24)31(29)35/h4-20,34-35H,1-3H3.
What are the key properties of bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane?
bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane has a molecular weight of 547.60 g/mol, XLogP of 9.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane is sourced from PubChem (CID 141006639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).