CID 173247022

C42H34Si — CID 173247022

IUPAC—
SMILESCC1=C([Si]C2=C(C)c3ccccc3C2c2c(C)ccc3ccccc23)C(c2c(C)ccc3ccccc23)c2ccccc21
InChIInChI=1S/C42H34Si/c1-25-21-23-29-13-5-7-17-33(29)37(25)39-35-19-11-9-15-31(35)27(3)41(39)43-42-28(4)32-16-10-12-20-36(32)40(42)38-26(2)22-24-30-14-6-8-18-34(30)38/h5-24,39-40H,1-4H3
InChIKeyLLJQLFNYGSHBHD-UHFFFAOYSA-N
MW566.82 g/mol
LogP10.77
Rot. Bonds4

About CID 173247022

CID 173247022 (PubChem CID 173247022) has the molecular formula C42H34Si and a molecular weight of 566.82 g/mol.

Molecular Properties

Compound NameCID 173247022
PubChem CID173247022
Molecular FormulaC42H34Si
Molecular Weight566.82 g/mol
Exact Mass566.24
IUPAC Name—
SMILESCC1=C([Si]C2=C(C)c3ccccc3C2c2c(C)ccc3ccccc23)C(c2c(C)ccc3ccccc23)c2ccccc21
InChIInChI=1S/C42H34Si/c1-25-21-23-29-13-5-7-17-33(29)37(25)39-35-19-11-9-15-31(35)27(3)41(39)43-42-28(4)32-16-10-12-20-36(32)40(42)38-26(2)22-24-30-14-6-8-18-34(30)38/h5-24,39-40H,1-4H3
InChIKeyLLJQLFNYGSHBHD-UHFFFAOYSA-N
XLogP10.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.82
LogP ≤ 510.77
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

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1-(2,3-dimethyl-1H-inden-1-yl)anthracene
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Frequently Asked Questions

What is the IUPAC name of CID 173247022?
The IUPAC name of CID 173247022 (CID 173247022) is not available.
What is the SMILES notation for CID 173247022?
The canonical SMILES for CID 173247022 is CC1=C([Si]C2=C(C)c3ccccc3C2c2c(C)ccc3ccccc23)C(c2c(C)ccc3ccccc23)c2ccccc21.
What is the InChIKey of CID 173247022?
The InChIKey is LLJQLFNYGSHBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34Si/c1-25-21-23-29-13-5-7-17-33(29)37(25)39-35-19-11-9-15-31(35)27(3)41(39)43-42-28(4)32-16-10-12-20-36(32)40(42)38-26(2)22-24-30-14-6-8-18-34(30)38/h5-24,39-40H,1-4H3.
What are the key properties of CID 173247022?
CID 173247022 has a molecular weight of 566.82 g/mol, XLogP of 10.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173247022 is sourced from PubChem (CID 173247022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).