CID 140631832

C31H35Si — CID 140631832

IUPAC—
SMILESCC1=C(C)C(C)([Si](c2ccccc2)c2ccccc2)C(c2cccc(C(C)(C)C)c2)=C1C
InChIInChI=1S/C31H35Si/c1-22-23(2)29(25-15-14-16-26(21-25)30(4,5)6)31(7,24(22)3)32(27-17-10-8-11-18-27)28-19-12-9-13-20-28/h8-21H,1-7H3
InChIKeyPXIJCEDLJWKXSX-UHFFFAOYSA-N
MW435.71 g/mol
LogP7.18
Rot. Bonds4

About CID 140631832

CID 140631832 (PubChem CID 140631832) has the molecular formula C31H35Si and a molecular weight of 435.71 g/mol.

Molecular Properties

Compound NameCID 140631832
PubChem CID140631832
Molecular FormulaC31H35Si
Molecular Weight435.71 g/mol
Exact Mass435.25
IUPAC Name—
SMILESCC1=C(C)C(C)([Si](c2ccccc2)c2ccccc2)C(c2cccc(C(C)(C)C)c2)=C1C
InChIInChI=1S/C31H35Si/c1-22-23(2)29(25-15-14-16-26(21-25)30(4,5)6)31(7,24(22)3)32(27-17-10-8-11-18-27)28-19-12-9-13-20-28/h8-21H,1-7H3
InChIKeyPXIJCEDLJWKXSX-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.71
LogP ≤ 57.18
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 140631832?
The IUPAC name of CID 140631832 (CID 140631832) is not available.
What is the SMILES notation for CID 140631832?
The canonical SMILES for CID 140631832 is CC1=C(C)C(C)([Si](c2ccccc2)c2ccccc2)C(c2cccc(C(C)(C)C)c2)=C1C.
What is the InChIKey of CID 140631832?
The InChIKey is PXIJCEDLJWKXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35Si/c1-22-23(2)29(25-15-14-16-26(21-25)30(4,5)6)31(7,24(22)3)32(27-17-10-8-11-18-27)28-19-12-9-13-20-28/h8-21H,1-7H3.
What are the key properties of CID 140631832?
CID 140631832 has a molecular weight of 435.71 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140631832 is sourced from PubChem (CID 140631832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).