CID 69304218

C44H34Si — CID 69304218

IUPAC—
SMILESCC1=Cc2c(-c3ccccc3)cccc2C1c1ccc([Si]c2ccc(C3C(C)=Cc4c(-c5ccccc5)cccc43)cc2)cc1
InChIInChI=1S/C44H34Si/c1-29-27-41-37(31-11-5-3-6-12-31)15-9-17-39(41)43(29)33-19-23-35(24-20-33)45-36-25-21-34(22-26-36)44-30(2)28-42-38(16-10-18-40(42)44)32-13-7-4-8-14-32/h3-28,43-44H,1-2H3
InChIKeyHOZZKAHJXFZTBS-UHFFFAOYSA-N
MW590.84 g/mol
LogP9.77
Rot. Bonds6

About CID 69304218

CID 69304218 (PubChem CID 69304218) has the molecular formula C44H34Si and a molecular weight of 590.84 g/mol.

Molecular Properties

Compound NameCID 69304218
PubChem CID69304218
Molecular FormulaC44H34Si
Molecular Weight590.84 g/mol
Exact Mass590.24
IUPAC Name—
SMILESCC1=Cc2c(-c3ccccc3)cccc2C1c1ccc([Si]c2ccc(C3C(C)=Cc4c(-c5ccccc5)cccc43)cc2)cc1
InChIInChI=1S/C44H34Si/c1-29-27-41-37(31-11-5-3-6-12-31)15-9-17-39(41)43(29)33-19-23-35(24-20-33)45-36-25-21-34(22-26-36)44-30(2)28-42-38(16-10-18-40(42)44)32-13-7-4-8-14-32/h3-28,43-44H,1-2H3
InChIKeyHOZZKAHJXFZTBS-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.84
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 69304218?
The IUPAC name of CID 69304218 (CID 69304218) is not available.
What is the SMILES notation for CID 69304218?
The canonical SMILES for CID 69304218 is CC1=Cc2c(-c3ccccc3)cccc2C1c1ccc([Si]c2ccc(C3C(C)=Cc4c(-c5ccccc5)cccc43)cc2)cc1.
What is the InChIKey of CID 69304218?
The InChIKey is HOZZKAHJXFZTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34Si/c1-29-27-41-37(31-11-5-3-6-12-31)15-9-17-39(41)43(29)33-19-23-35(24-20-33)45-36-25-21-34(22-26-36)44-30(2)28-42-38(16-10-18-40(42)44)32-13-7-4-8-14-32/h3-28,43-44H,1-2H3.
What are the key properties of CID 69304218?
CID 69304218 has a molecular weight of 590.84 g/mol, XLogP of 9.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69304218 is sourced from PubChem (CID 69304218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).